Basic information
- CAS
14525-83-8- Standard SMILES
CC1=CC(=O)CCCC1- InChIKey
CYXNRWOZZPRJAH-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 3-Methylcyclohept-2-en-1-one
- IUPAC
- 3-methylcyclohept-2-en-1-one
Names & synonyms
3-Methylcyclohept-2-en-1-one14525-83-8DTXSID60545568RefChem:281090DTXCID904963522-Cyclohepten-1-one, 3-methyl-3-methyl-2-cycloheptenone3-methylcyclohept-2-enoneSCHEMBL6534885CYXNRWOZZPRJAH-UHFFFAOYSA-NMFCD19300750AKOS022504467
Show more names
SY471833I84813
Database identifiers
- CAS
14525-83-8- PubChem CID
- 13636339
- DTXSID
DTXSID60545568- Nikkaji
- J909.377J
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 145
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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