Basic information
- CAS
26462-77-1- Standard SMILES
CC1=CC[C@H]([C@@H](C)CC(=O)CC(C)C)CC1- InChIKey
KQKCQDAWNOKFQQ-KBPBESRZSA-N- Molecular formula
- C15H26O
- Average molar mass
- 222.37 g/mol
- Monoisotopic mass
- 222.19836545
Names & identifiers
- Preferred name
- (6S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]heptan-4-one
- IUPAC
- (6S)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]heptan-4-one
- English name
- (6R)-2-Methyl-6-[(S)-4-methyl-3-cyclohexen-1-yl]-4-heptanone
- Molecular formula
- C15H26O
- Molecular weight
- 222.37
Names & synonyms
(6R)-2-Methyl-6-[(S)-4-methyl-3-cyclohexen-1-yl]-4-heptanone4-Heptanone, 2-methyl-6-[(1R)-4-methyl-3-cyclohexen-1-yl]-, (6S)-
Database identifiers
- CAS
26462-77-1- PubChem CID
- 15427880
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
- 16
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 299.662 · 299.662±9.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.89 · 0.890±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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