Basic information
- CAS
51367-69-2- Standard SMILES
CC(C=O)CC1CCC(C(C)C)CC1- InChIKey
ZVPQMVSVAYSBAQ-UHFFFAOYSA-N- Molecular formula
- C13H24O
- Average molar mass
- 196.33 g/mol
- Monoisotopic mass
- 196.18271539
Names & identifiers
- Preferred name
- 4-Isopropyl-alpha-methylcyclohexanepropionaldehyde
- IUPAC
- 2-methyl-3-(4-propan-2-ylcyclohexyl)propanal
- English name
- 4-isopropyl-alpha-methylcyclohexanepropionaldehyde
- Molecular formula
- C13H24O
- Molecular weight
- 196.33
Names & synonyms
4-Isopropyl-alpha-methylcyclohexanepropionaldehyde51367-69-2EINECS 257-155-42-Methyl-3-[4-(propan-2-yl)cyclohexyl]propanalSCHEMBL2400021DTXSID30965653NS00056046α-Methyl-4-(1-methylethyl)cyclohexanepropanalCyclohexanepropanal, α-methyl-4-(1-methylethyl)-
Database identifiers
- CAS
51367-69-2- PubChem CID
- 6452425
- DTXSID
DTXSID30965653- EC Number
- 257-155-4
- Nikkaji
- J261.698J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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