Basic information
- CAS
479543-86-7- Standard SMILES
CC(C)[C@H]1CC(=O)C[C@H](C)C1- InChIKey
MCSPKYAHSDBQAR-RKDXNWHRSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
Names & identifiers
- Preferred name
- trans-(3R,5R)-3-methyl-5-propan-2-ylcyclohexan-1-one
- IUPAC
- trans-(3R,5R)-3-methyl-5-propan-2-ylcyclohexan-1-one
- English name
- Cyclohexanone, 3-methyl-5-(1-methylethyl)-, (3R,5R)- (9CI)
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
Cyclohexanone, 3-methyl-5-(1-methylethyl)-, (3R,5R)-Cyclohexanone, 3-methyl-5-(1-methylethyl)-, (3R,5R)- (9CI)
Database identifiers
- CAS
479543-86-7
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 149
Physicochemical properties
- Boiling point
- 208.9 · 208.9±8.0 °C(Predicted)
- Density
- 0.881 · 0.881±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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