beta,4-Dimethylcyclohexanepropionaldehyde
Basic information
- CAS
70964-95-3- Standard SMILES
CC1CCC(C(C)CC=O)CC1- InChIKey
YZFPDESEFZSBIN-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- beta,4-Dimethylcyclohexanepropionaldehyde
- IUPAC
- 3-(4-methylcyclohexyl)butanal
- English name
- beta,4-dimethylcyclohexanepropionaldehyde
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
70964-95-3beta,4-DimethylcyclohexanepropionaldehydeEINECS 275-066-93-(4-methylcyclohexyl)butanalSCHEMBL1026314DTXSID20991269NS00063028Cyclohexanepropanal, β,4-dimethyl-β,4-Dimethylcyclohexane-1-propanolβ,4-dimethylcyclohexanepropionaldehyde
Database identifiers
- CAS
70964-95-3- PubChem CID
- 21290463
- DTXSID
DTXSID20991269- EC Number
- 275-066-9
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 84 °C · 84 °C(Press: 1-2 Torr)
- Density
- 0.91 g/cm3 · 0.910 g/cm3(Temp: 21 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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