2-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal
Basic information
- CAS
19009-53-1- Standard SMILES
CC(C=O)CC1=CCC(C(C)C)CC1- InChIKey
YWGFDOIOHHXYKQ-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 2-Methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal
- IUPAC
- 2-methyl-3-(4-propan-2-ylcyclohexen-1-yl)propanal
Names & synonyms
19009-53-12-methyl-3-[4-(propan-2-yl)cyclohex-1-en-1-yl]propanal4-Isopropyl-alpha-methylcyclohexene-1-propan-1-alEINECS 242-744-0SCHEMBL14836426DTXSID20940550NS00053698
Database identifiers
- CAS
19009-53-1- PubChem CID
- 86818
- DTXSID
DTXSID20940550- EC Number
- 242-744-0
- Nikkaji
- J224.830A
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…