Basic information
- CAS
67801-41-6- Standard SMILES
CC/C(C)=C/C=C/C(C)(C)CC(C)=O- InChIKey
VPZYONTUNFBDMF-BIZFVBGRSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- (5E,7E)-4,4,8-trimethyldeca-5,7-dien-2-one
- IUPAC
- (5E,7E)-4,4,8-trimethyldeca-5,7-dien-2-one
Names & synonyms
(5E,7E)-4,4,8-trimethyldeca-5,7-dien-2-one
Database identifiers
- CAS
67801-41-6- PubChem CID
- 6437136
- Nikkaji
- J317.163I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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