Basic information
- Standard SMILES
CCC(C)C=CC(C)=O- InChIKey
QDUQNQQMHZNNTG-UHFFFAOYSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
Overview
5-methylhept-3-en-2-one has been reported in Lagoecia cuminoides and Salvia caespitosa with data available.
Names & identifiers
- Preferred name
- 5-Methyl-hept-3-en-2-one
- IUPAC
- 5-methylhept-3-en-2-one
Names & synonyms
5-methyl-hept-3-en-2-oneSCHEMBL2592835QDUQNQQMHZNNTG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 138412
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 114
Related reactions
1 records
Compound notes
Loading…