(5E)-3,4-dimethyl-5-pentylidene-oxolan-2-one
Basic information
- CAS
51352-68-2- Standard SMILES
CCCC/C=C1/OC(=O)C(C)C1C- InChIKey
GKHOOSNEXYJMQR-JXMROGBWSA-N- Molecular formula
- C11H18O2
- Average molar mass
- 182.26 g/mol
- Monoisotopic mass
- 182.13067981
Names & identifiers
- Preferred name
- (5E)-3,4-dimethyl-5-pentylidene-oxolan-2-one
- IUPAC
- (5E)-3,4-dimethyl-5-pentylideneoxolan-2-one
- English name
- 2(3H)-Furanone, 5-pentyl-
- Molecular formula
- C9H14O2
- Molecular weight
- 154.21
Names & synonyms
(5E)-3,4-dimethyl-5-pentylidene-oxolan-2-oneSCHEMBL3045045GKHOOSNEXYJMQR-JXMROGBWSA-N3,4-dimetthyl-5-pentylidene-2(5H)-furanone5-PENTYL-3H-FURAN-2-ONE3-nonen-4-olide2(3H)-Furanone, 5-pentyl-
Database identifiers
- CAS
51352-68-2- PubChem CID
- 9855656
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- FEMA
- 4323 · 4323 | 5-PENTYL-3H-FURAN-2-ONE
- FLAVIS Number
- 10.17 · 10.170 | 5-Pentyl-3H-furan-2-one
- Odor
- 10 % · at 10.00 % in dipropylene glycol. tropical fruity milky dairy
- Odor Type
- tropical
- JECFA Number
- 1989 · 1989
- LogP
- 2.27 · 2.27
- Substances Added to Food (formerly EAFUS)
- 5 · 5-PENTYL-3H-FURAN-2-ONE
- FDA UNII
- 631 PBW · MDN0631PBW
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
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