Basic information
- CAS
2952-04-7- Standard SMILES
CC1(C)C=CC2CC2(C)C(=O)C1- InChIKey
JUFBYDNAUULLOP-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- 1,4,4-Trimethylbicyclo[5.1.0]oct-5-en-2-one
- IUPAC
- 1,4,4-trimethylbicyclo[5.1.0]oct-5-en-2-one
- English name
- 1,4,4-Trimethylbicyclo[5.1.0]oct-5-en-2-one
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
1,4,4-trimethylbicyclo[5.1.0]oct-5-en-2-one2952-04-7NSC174641DTXSID40306210AKOS024321506NSC-1746411,4,4-trimethyl-bicyclo[5.1.0]oct-5-en-2-oneBicyclo[5.1.0]oct-5-en-2-one, 1,4,4-trimethyl-
Database identifiers
- CAS
2952-04-7- PubChem CID
- 300293
- DTXSID
DTXSID40306210
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 221 · 221.0±9.0 °C(Predicted)
- Density
- 0.989 · 0.989±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…