Basic information
- CAS
91900-51-5- Standard SMILES
CC(=O)C1=CC=CC(C)(C)C1- InChIKey
MWWZERLTFLMQEP-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
Names & identifiers
- Preferred name
- Ketone, 5,5-dimethyl-1,3-cyclohexadien-1-YL methyl
- IUPAC
- 1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)ethanone
- English name
- Ketone, 5,5-dimethyl-1,3-cyclohexadien-1-yl methyl (7CI)
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
SCHEMBL2693242891900-51-5DB-287857KETONE, 5,5-DIMETHYL-1,3-CYCLOHEXADIEN-1-YL METHYLEthanone, 1-(5,5-dimethyl-1,3-cyclohexadien-1-yl)-Ketone, 5,5-dimethyl-1,3-cyclohexadien-1-yl methyl (7CI)
Database identifiers
- CAS
91900-51-5
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 225.3 · 225.3±19.0 °C(Predicted)
- Density
- 0.934 · 0.934±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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