5-Methylcyclohept-2-en-1-one
Basic information
- CAS
71837-42-8- Standard SMILES
CC1CC=CC(=O)CC1- InChIKey
GWZGOJFCYGJODK-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 5-Methylcyclohept-2-en-1-one
- IUPAC
- 5-methylcyclohept-2-en-1-one
Names & synonyms
71837-42-85-methylcyclohept-2-en-1-oneNSC312795SCHEMBL29165328DTXSID80317209NSC-312795
Database identifiers
- CAS
71837-42-8- PubChem CID
- 329504
- DTXSID
DTXSID80317209
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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