Basic information
- Standard SMILES
CC1=CCC(C=O)(C(C)C(C)C)CC1- InChIKey
JMMUOQAMPLKSNR-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
Names & identifiers
- Preferred name
- 1-(1,2-Dimethyl-propyl)-4-methyl-cyclohex-3-enecarbaldehyde
- IUPAC
- 4-methyl-1-(3-methylbutan-2-yl)cyclohex-3-ene-1-carbaldehyde
Names & synonyms
SCHEMBL15129885JMMUOQAMPLKSNR-UHFFFAOYSA-N1-(1,2-dimethyl-propyl)-4-methyl-cyclohex-3-enecarbaldehyde
Database identifiers
- PubChem CID
- 89705176
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
2 records
Compound notes
Loading…