Basic information
- CAS
72927-87-8- Standard SMILES
CCCCCCC=C1CCCCC1=O- InChIKey
CSVZOOMJWBCXPP-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- Cyclohexanone, 2-heptylidene-
- IUPAC
- 2-heptylidenecyclohexan-1-one
Names & synonyms
72927-87-8Cyclohexanone, 2-heptylidene-EINECS 277-028-7DTXSID9072656RefChem:129646DTXCID5047409CSVZOOMJWBCXPP-UHFFFAOYSA-NNS00037434
Database identifiers
- CAS
72927-87-8- PubChem CID
- 166356
- DTXSID
DTXSID9072656- EC Number
- 277-028-7
Properties
Computed structural properties
- XLogP
- 4.3
- 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
- 203
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Cyclohexanone, 2-heptylidene-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanone, 2-heptylidene-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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