(E)-6-Methyl-3-hepten-2-one
Basic information
- CAS
2009-74-7- Standard SMILES
CC(=O)C=CCC(C)C- InChIKey
RSNMTAYSENLHOW-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Names & identifiers
- Preferred name
- (E)-6-Methyl-3-hepten-2-one
- IUPAC
- 6-methylhept-3-en-2-one
Names & synonyms
(E)-6-methyl-3-hepten-2-oneRefChem:4063556-methylhept-3-en-2-oneIsoamylidenacetonSCHEMBL160033RSNMTAYSENLHOW-UHFFFAOYSA-NAB88229
Database identifiers
- CAS
2009-74-7- PubChem CID
- 137281
- DTXSID
DTXSID50862812
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 112
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
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Related reactions
2 records
Compound notes
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