4-(3-Ethyl-5-methylcyclohexyl)but-2-enal
Basic information
- CAS
94200-97-2- Standard SMILES
CCC1CC(C)CC(CC=CC=O)C1- InChIKey
LRYSDMSJOLOIPW-UHFFFAOYSA-N- Molecular formula
- C13H22O
- Average molar mass
- 194.31 g/mol
- Monoisotopic mass
- 194.16706532
Names & identifiers
- Preferred name
- 4-(3-Ethyl-5-methylcyclohexyl)but-2-enal
- IUPAC
- 4-(3-ethyl-5-methylcyclohexyl)but-2-enal
Names & synonyms
LRYSDMSJOLOIPW-UHFFFAOYSA-NDTXSID4012734964-(3-ethyl-5-methylcyclohexyl)but-2-enalNS00065797
Database identifiers
- CAS
94200-97-2- PubChem CID
- 3023974
- DTXSID
DTXSID401273496
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 195
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Compound notes
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