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Oxanes

Organic heterocyclic compounds that consist of a saturated six-membered ring with five carbon atoms and one oxygen atom.
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1 – 15 of 77 results
1

2-N-BOC-Amino-3-(4-tetrahydropyranyl)propionic acid, 95%

CAS: 182287-51-0 Molecular Formula: C13H23NO5 Molecular Weight (g/mol): 273.33 MDL Number: MFCD02683139 InChI Key: NKYZORHKIYSSEL-UHFFFAOYSA-N Synonym: 2-n-boc-amino-3-4-tetrahydropyranyl propionic acid,2-tert-butoxycarbonyl amino-3-tetrahydro-2h-pyran-4-yl propanoic acid,2-boc-3-tetrahydropyran-4-yl-dl-alanine,n-tert-butoxycarbonyl-3-oxan-4-ylalanine,2-tert-butoxycarbonylamino-3-tetrahydro-pyran-4-yl-propionic acid,2-tert-butoxy carbonyl amino-3-oxan-4-yl propanoic acid,2-tert-butoxycarbonyl amino-3-oxan-4-yl propanoic acid,2-2-methylpropan-2-yl oxycarbonylamino-3-oxan-4-yl propanoic acid,alpha-boc-amino tetrahydropyran-4-propanoic acid PubChem CID: 2734406 IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid SMILES: CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)O

PubChem CID 2734406
CAS 182287-51-0
Molecular Weight (g/mol) 273.33
MDL Number MFCD02683139
SMILES CC(C)(C)OC(=O)NC(CC1CCOCC1)C(=O)O
Synonym 2-n-boc-amino-3-4-tetrahydropyranyl propionic acid,2-tert-butoxycarbonyl amino-3-tetrahydro-2h-pyran-4-yl propanoic acid,2-boc-3-tetrahydropyran-4-yl-dl-alanine,n-tert-butoxycarbonyl-3-oxan-4-ylalanine,2-tert-butoxycarbonylamino-3-tetrahydro-pyran-4-yl-propionic acid,2-tert-butoxy carbonyl amino-3-oxan-4-yl propanoic acid,2-tert-butoxycarbonyl amino-3-oxan-4-yl propanoic acid,2-2-methylpropan-2-yl oxycarbonylamino-3-oxan-4-yl propanoic acid,alpha-boc-amino tetrahydropyran-4-propanoic acid
IUPAC Name 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
InChI Key NKYZORHKIYSSEL-UHFFFAOYSA-N
Molecular Formula C13H23NO5
2

4-(Tetrahydropyran-4-yloxy)benzoic acid, 97%, Thermo Scientific™

CAS: 851048-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD09025874 InChI Key: MPNYLYRGNCZFFH-UHFFFAOYSA-N PubChem CID: 24229519 IUPAC Name: 4-(oxan-4-yloxy)benzoic acid SMILES: C1COCCC1OC2=CC=C(C=C2)C(=O)O

PubChem CID 24229519
CAS 851048-51-6
Molecular Weight (g/mol) 222.24
MDL Number MFCD09025874
SMILES C1COCCC1OC2=CC=C(C=C2)C(=O)O
IUPAC Name 4-(oxan-4-yloxy)benzoic acid
InChI Key MPNYLYRGNCZFFH-UHFFFAOYSA-N
Molecular Formula C12H14O4
3

4-Phenyltetrahydropyran-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 182491-21-0 Molecular Formula: C12H14O3 Molecular Weight (g/mol): 206.24 MDL Number: MFCD00085758 InChI Key: BWHJLSRDMNLSET-UHFFFAOYSA-N Synonym: 4-phenyltetrahydro-2h-pyran-4-carboxylic acid,4-phenyl-tetrahydro-pyran-4-carboxylic acid,4-phenyltetrahydropyran-4-carboxylic acid,4-phenyl-oxane-4-carboxylic acid,2h-pyran-4-carboxylicacid, tetrahydro-4-phenyl,4-carboxy-4-phenyloxane,4-carboxy-4-phenyltetrahydro-2h-pyran,4-carboxytetrahydro-2h-pyran-4-yl benzene,4-phenyltetrahydro-2h-pyran-4-carboxylicacid,4-phenyl-tetrahydro-2h-pyran-4-carboxylic acid PubChem CID: 4138553 IUPAC Name: 4-phenyloxane-4-carboxylic acid SMILES: OC(=O)C1(CCOCC1)C1=CC=CC=C1

PubChem CID 4138553
CAS 182491-21-0
Molecular Weight (g/mol) 206.24
MDL Number MFCD00085758
SMILES OC(=O)C1(CCOCC1)C1=CC=CC=C1
Synonym 4-phenyltetrahydro-2h-pyran-4-carboxylic acid,4-phenyl-tetrahydro-pyran-4-carboxylic acid,4-phenyltetrahydropyran-4-carboxylic acid,4-phenyl-oxane-4-carboxylic acid,2h-pyran-4-carboxylicacid, tetrahydro-4-phenyl,4-carboxy-4-phenyloxane,4-carboxy-4-phenyltetrahydro-2h-pyran,4-carboxytetrahydro-2h-pyran-4-yl benzene,4-phenyltetrahydro-2h-pyran-4-carboxylicacid,4-phenyl-tetrahydro-2h-pyran-4-carboxylic acid
IUPAC Name 4-phenyloxane-4-carboxylic acid
InChI Key BWHJLSRDMNLSET-UHFFFAOYSA-N
Molecular Formula C12H14O3
4

1-(2-Tetrahydropyranyl)-1H-imidazole-5-boronic acid pinacol ester, 95%

CAS: 1029684-37-4 Molecular Formula: C14H23BN2O3 Molecular Weight (g/mol): 278.159 MDL Number: MFCD11100960 InChI Key: BVIWGBKKGPHNAB-UHFFFAOYSA-N Synonym: 1-tetrahydro-2h-pyran-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-imidazole,1-tetrahydro-2h-pyran-2-yl-1h-imidazole-5-boronic acid pinacol ester,1-2-tetrahydropyranyl-1h-imidazole-5-boronic acid pinacol ester,1-oxan-2-yl-5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-imidazole,1-tetrahydro-pyran-2-yl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-imidazole,1-tetrahydropyran-2-yl-1h-imidazole-5-boronic ac,1-oxan-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl imidazole,1-oxan-2-yl-5-tetramethyl-1,3,2-dioxaborolan-2-yl imidazole,1-tetrahydro-pyran-2-yl-1h-imidazole-5-boronic acid pinacol ester,1-tetrahydropyran-2-yl-1h-imidazole-5-boronic acid pinacol ester PubChem CID: 24880008 IUPAC Name: 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=CN2C3CCCCO3

PubChem CID 24880008
CAS 1029684-37-4
Molecular Weight (g/mol) 278.159
MDL Number MFCD11100960
SMILES B1(OC(C(O1)(C)C)(C)C)C2=CN=CN2C3CCCCO3
Synonym 1-tetrahydro-2h-pyran-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-imidazole,1-tetrahydro-2h-pyran-2-yl-1h-imidazole-5-boronic acid pinacol ester,1-2-tetrahydropyranyl-1h-imidazole-5-boronic acid pinacol ester,1-oxan-2-yl-5-tetramethyl-1,3,2-dioxaborolan-2-yl-1h-imidazole,1-tetrahydro-pyran-2-yl-5-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-1h-imidazole,1-tetrahydropyran-2-yl-1h-imidazole-5-boronic ac,1-oxan-2-yl-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl imidazole,1-oxan-2-yl-5-tetramethyl-1,3,2-dioxaborolan-2-yl imidazole,1-tetrahydro-pyran-2-yl-1h-imidazole-5-boronic acid pinacol ester,1-tetrahydropyran-2-yl-1h-imidazole-5-boronic acid pinacol ester
IUPAC Name 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
InChI Key BVIWGBKKGPHNAB-UHFFFAOYSA-N
Molecular Formula C14H23BN2O3
5

2-(3-Bromopropoxy)tetrahydro-2H-pyran, 98%, stabilized with potassium carbonate, Thermo Scientific Chemicals

CAS: 33821-94-2 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.1 InChI Key: HJNHUFQGDJLQRS-UHFFFAOYSA-N Synonym: 2-3-bromopropoxy tetrahydro-2h-pyran,2-3-bromopropoxy oxane,2-3-bromopropoxy-tetrahydro-2h-pyran,2-3-bromopropoxy tetrahydropyran,1-bromo-3-tetrahydropyranyloxypropane,2-3-bromo-propoxy-tetrahydro-pyran,2h-pyran, 2-3-bromopropoxy tetrahydro,acmc-1cjr6,1-bromo-3-2-oxanyloxy propane PubChem CID: 2777988 IUPAC Name: 2-(3-bromopropoxy)oxane SMILES: C1CCOC(C1)OCCCBr

PubChem CID 2777988
CAS 33821-94-2
Molecular Weight (g/mol) 223.1
SMILES C1CCOC(C1)OCCCBr
Synonym 2-3-bromopropoxy tetrahydro-2h-pyran,2-3-bromopropoxy oxane,2-3-bromopropoxy-tetrahydro-2h-pyran,2-3-bromopropoxy tetrahydropyran,1-bromo-3-tetrahydropyranyloxypropane,2-3-bromo-propoxy-tetrahydro-pyran,2h-pyran, 2-3-bromopropoxy tetrahydro,acmc-1cjr6,1-bromo-3-2-oxanyloxy propane
IUPAC Name 2-(3-bromopropoxy)oxane
InChI Key HJNHUFQGDJLQRS-UHFFFAOYSA-N
Molecular Formula C8H15BrO2
6

Tetrahydropyran-4-carboxylic acid, 98%

CAS: 5337-03-1 MDL Number: MFCD00031016

CAS 5337-03-1
MDL Number MFCD00031016
7

4-Acetyltetrahydropyran, 97%

CAS: 137052-08-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD08704647 InChI Key: VNMXIOWPBADSIC-UHFFFAOYSA-N Synonym: 1-tetrahydro-2h-pyran-4-yl ethanone,1-oxan-4-yl ethan-1-one,1-oxan-4-yl ethanone,4-acetyltetrahydropyran,1-tetrahydro-2h-pyran-4-ylethanone,4-acetyltetrahydro-4h-pyran,4-acetyltetrahydro-2h-pyran,1-tetrahydropyran-4-ylethanone,1-tetrahydro-pyran-4-yl-ethanone,1-tetrahydro-2h-pyran-4-yl ethan-1-one PubChem CID: 9877365 IUPAC Name: 1-(oxan-4-yl)ethanone SMILES: CC(=O)C1CCOCC1

PubChem CID 9877365
CAS 137052-08-5
Molecular Weight (g/mol) 128.171
MDL Number MFCD08704647
SMILES CC(=O)C1CCOCC1
Synonym 1-tetrahydro-2h-pyran-4-yl ethanone,1-oxan-4-yl ethan-1-one,1-oxan-4-yl ethanone,4-acetyltetrahydropyran,1-tetrahydro-2h-pyran-4-ylethanone,4-acetyltetrahydro-4h-pyran,4-acetyltetrahydro-2h-pyran,1-tetrahydropyran-4-ylethanone,1-tetrahydro-pyran-4-yl-ethanone,1-tetrahydro-2h-pyran-4-yl ethan-1-one
IUPAC Name 1-(oxan-4-yl)ethanone
InChI Key VNMXIOWPBADSIC-UHFFFAOYSA-N
Molecular Formula C7H12O2
8

4-(Hydroxymethyl)tetrahydropyran, 98%

CAS: 14774-37-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00457804 InChI Key: YSNVSVCWTBLLRW-UHFFFAOYSA-N Synonym: tetrahydropyran-4-methanol,tetrahydro-2h-pyran-4-yl methanol,4-hydroxymethyl tetrahydropyran,oxan-4-yl methanol,tetrahydro-pyran-4-yl-methanol,tetrahydro-2h-pyran-4-ylmethanol,2h-pyran-4-methanol, tetrahydro,4-hydroxymethyltetrahydropyran,oxan-4-yl-methanol PubChem CID: 2773573 SMILES: OCC1CCOCC1

PubChem CID 2773573
CAS 14774-37-9
Molecular Weight (g/mol) 116.16
MDL Number MFCD00457804
SMILES OCC1CCOCC1
Synonym tetrahydropyran-4-methanol,tetrahydro-2h-pyran-4-yl methanol,4-hydroxymethyl tetrahydropyran,oxan-4-yl methanol,tetrahydro-pyran-4-yl-methanol,tetrahydro-2h-pyran-4-ylmethanol,2h-pyran-4-methanol, tetrahydro,4-hydroxymethyltetrahydropyran,oxan-4-yl-methanol
InChI Key YSNVSVCWTBLLRW-UHFFFAOYSA-N
Molecular Formula C6H12O2
9

2-Tetrahydropyran-4-ylethanol, 97%, Thermo Scientific™

CAS: 4677-18-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00129068 InChI Key: XZXZZACRGBBWTQ-UHFFFAOYSA-N Synonym: 2-tetrahydro-2h-pyran-4-yl ethanol,2-oxan-4-yl ethan-1-ol,2-tetrahydro-pyran-4-yl-ethanol,2-tetrahydropyran-4-ylethanol,2-oxan-4-yl ethanol,4-2-hydroxyethyl oxane,4-hydroxyethyl tetrahydropyran,2h-pyran-4-ethanol, tetrahydro,2-tetrahydro-2h-pyran-4-yl ethan-1-ol,2-tetrahydro-2h-pyran-4-ylethanol PubChem CID: 17750944 SMILES: OCCC1CCOCC1

PubChem CID 17750944
CAS 4677-18-3
Molecular Weight (g/mol) 130.19
MDL Number MFCD00129068
SMILES OCCC1CCOCC1
Synonym 2-tetrahydro-2h-pyran-4-yl ethanol,2-oxan-4-yl ethan-1-ol,2-tetrahydro-pyran-4-yl-ethanol,2-tetrahydropyran-4-ylethanol,2-oxan-4-yl ethanol,4-2-hydroxyethyl oxane,4-hydroxyethyl tetrahydropyran,2h-pyran-4-ethanol, tetrahydro,2-tetrahydro-2h-pyran-4-yl ethan-1-ol,2-tetrahydro-2h-pyran-4-ylethanol
InChI Key XZXZZACRGBBWTQ-UHFFFAOYSA-N
Molecular Formula C7H14O2
10

Tetrahydro-2H-pyran-2-ol, 90%, cyclized form of 5-Hydroxypentanal

CAS: 694-54-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD02683093 InChI Key: CELWCAITJAEQNL-UHFFFAOYSA-N Synonym: 2-hydroxytetrahydropyran,tetrahydro-2h-pyran-2-ol,oxanol,2h-pyran-2-ol, tetrahydro,2-tetrahydropyranol,tetrahydropyran-2-ol,tetrahydro-2-hydroxy-2h-pyran,tetrahydro-2-pyranol,tetrahydropyranyl alcohol,2h-pyran-2-ol,tetrahydro PubChem CID: 136505 IUPAC Name: oxan-2-ol SMILES: C1CCOC(C1)O

PubChem CID 136505
CAS 694-54-2
Molecular Weight (g/mol) 102.13
MDL Number MFCD02683093
SMILES C1CCOC(C1)O
Synonym 2-hydroxytetrahydropyran,tetrahydro-2h-pyran-2-ol,oxanol,2h-pyran-2-ol, tetrahydro,2-tetrahydropyranol,tetrahydropyran-2-ol,tetrahydro-2-hydroxy-2h-pyran,tetrahydro-2-pyranol,tetrahydropyranyl alcohol,2h-pyran-2-ol,tetrahydro
IUPAC Name oxan-2-ol
InChI Key CELWCAITJAEQNL-UHFFFAOYSA-N
Molecular Formula C5H10O2
11

2-(8-Bromooctyloxy)tetrahydropyran, tech. 90%

CAS: 50816-20-1 Molecular Formula: C13H25BrO2 Molecular Weight (g/mol): 293.245 MDL Number: MFCD00014648 InChI Key: JCRBYQZIJFWGOO-UHFFFAOYSA-N Synonym: 2-8-bromooctyl oxy tetrahydro-2h-pyran,2h-pyran, 2-8-bromooctyl oxy tetrahydro,1-bromo-8-tetrahydropyranyloxy octane,8-bromooctyl tetrahydropyranyl ether,1-bromo-8-tetrahydropyranyloxyoctane,2-8-bromooctyloxy tetrahydropyran,2-8-bromooctyl oxy oxane,acmc-20aowo PubChem CID: 170916 IUPAC Name: 2-(8-bromooctoxy)oxane SMILES: C1CCOC(C1)OCCCCCCCCBr

PubChem CID 170916
CAS 50816-20-1
Molecular Weight (g/mol) 293.245
MDL Number MFCD00014648
SMILES C1CCOC(C1)OCCCCCCCCBr
Synonym 2-8-bromooctyl oxy tetrahydro-2h-pyran,2h-pyran, 2-8-bromooctyl oxy tetrahydro,1-bromo-8-tetrahydropyranyloxy octane,8-bromooctyl tetrahydropyranyl ether,1-bromo-8-tetrahydropyranyloxyoctane,2-8-bromooctyloxy tetrahydropyran,2-8-bromooctyl oxy oxane,acmc-20aowo
IUPAC Name 2-(8-bromooctoxy)oxane
InChI Key JCRBYQZIJFWGOO-UHFFFAOYSA-N
Molecular Formula C13H25BrO2
12

Cyclopentene oxide, 98%

CAS: 285-67-6 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00005161 InChI Key: GJEZBVHHZQAEDB-UHFFFAOYNA-N Synonym: cyclopentene oxide,6-oxabicyclo 3.1.0 hexane,1,2-epoxycyclopentane,cyclopentane oxide,cyclopentene epoxide,epoxycyclopentane,cis-1,2-epoxycyclopentane,cyclopentane, 1,2-epoxy,6-oxa-bicyclo 3.1.0 hexane PubChem CID: 9244 IUPAC Name: 6-oxabicyclo[3.1.0]hexane SMILES: C1CC2OC2C1

PubChem CID 9244
CAS 285-67-6
Molecular Weight (g/mol) 84.12
MDL Number MFCD00005161
SMILES C1CC2OC2C1
Synonym cyclopentene oxide,6-oxabicyclo 3.1.0 hexane,1,2-epoxycyclopentane,cyclopentane oxide,cyclopentene epoxide,epoxycyclopentane,cis-1,2-epoxycyclopentane,cyclopentane, 1,2-epoxy,6-oxa-bicyclo 3.1.0 hexane
IUPAC Name 6-oxabicyclo[3.1.0]hexane
InChI Key GJEZBVHHZQAEDB-UHFFFAOYNA-N
Molecular Formula C5H8O
13

1-Tetrahydropyran-4-yl-1H-pyrazol-4-ylamine, 97%

CAS: 1190380-49-4 Molecular Formula: C8H13N3O Molecular Weight (g/mol): 167.21 MDL Number: MFCD11505007 InChI Key: GZZNBQLBGSVOOZ-UHFFFAOYSA-N Synonym: 1-tetrahydro-2h-pyran-4-yl-1h-pyrazol-4-amine,1-oxan-4-yl pyrazol-4-amine,1-oxan-4-yl-1h-pyrazol-4-amine,1h-pyrazol-4-amine, 1-tetrahydro-2h-pyran-4-yl,1-tetrahydropyran-4-yl pyrazol-4-amine,1-tetrahydro-pyran-4-yl-1h-pyrazol-4-ylamine,1-2h-3,4,5,6-tetrahydropyran-4-yl pyrazole-4-ylamine PubChem CID: 51063703 SMILES: NC1=CN(N=C1)C1CCOCC1

PubChem CID 51063703
CAS 1190380-49-4
Molecular Weight (g/mol) 167.21
MDL Number MFCD11505007
SMILES NC1=CN(N=C1)C1CCOCC1
Synonym 1-tetrahydro-2h-pyran-4-yl-1h-pyrazol-4-amine,1-oxan-4-yl pyrazol-4-amine,1-oxan-4-yl-1h-pyrazol-4-amine,1h-pyrazol-4-amine, 1-tetrahydro-2h-pyran-4-yl,1-tetrahydropyran-4-yl pyrazol-4-amine,1-tetrahydro-pyran-4-yl-1h-pyrazol-4-ylamine,1-2h-3,4,5,6-tetrahydropyran-4-yl pyrazole-4-ylamine
InChI Key GZZNBQLBGSVOOZ-UHFFFAOYSA-N
Molecular Formula C8H13N3O
14

1,8-Cineole, 99%

CAS: 470-82-6 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00167977 InChI Key: WEEGYLXZBRQIMU-UHFFFAOYSA-N Synonym: eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan PubChem CID: 2758 IUPAC Name: 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane SMILES: CC12CCC(CC1)C(C)(C)O2

PubChem CID 2758
CAS 470-82-6
Molecular Weight (g/mol) 154.25
MDL Number MFCD00167977
SMILES CC12CCC(CC1)C(C)(C)O2
Synonym eucalyptol,cineole,1,8-cineole,1,8-cineol,cajeputol,1,8-epoxy-p-menthane,eucalyptole,zineol,eucapur,terpan
IUPAC Name 2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
InChI Key WEEGYLXZBRQIMU-UHFFFAOYSA-N
Molecular Formula C10H18O
15

Tetrahydro-4H-pyran-4-one, 99%

CAS: 29943-42-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 InChI Key: JMJRYTGVHCAYCT-UHFFFAOYSA-N Synonym: tetrahydro-4h-pyran-4-one,4-oxotetrahydropyran,tetrahydropyran-4-one,dihydro-2h-pyran-4 3h-one,4h-pyran-4-one, tetrahydro,4-thp,tetrahydro-2h-pyran-4-one,tetrahydro-pyran-4-one,4-oxotetrahydopyran,tetrahydro-.gamma.-pyrone PubChem CID: 121599 IUPAC Name: oxan-4-one SMILES: C1COCCC1=O

PubChem CID 121599
CAS 29943-42-8
Molecular Weight (g/mol) 100.12
SMILES C1COCCC1=O
Synonym tetrahydro-4h-pyran-4-one,4-oxotetrahydropyran,tetrahydropyran-4-one,dihydro-2h-pyran-4 3h-one,4h-pyran-4-one, tetrahydro,4-thp,tetrahydro-2h-pyran-4-one,tetrahydro-pyran-4-one,4-oxotetrahydopyran,tetrahydro-.gamma.-pyrone
IUPAC Name oxan-4-one
InChI Key JMJRYTGVHCAYCT-UHFFFAOYSA-N
Molecular Formula C5H8O2