5-[4-(1-Methylethyl)-1-cyclohexen-1-yl]-4-pentenal
Basic information
- CAS
94201-07-7- Standard SMILES
CC(C)C1CC=C(C=CCCC=O)CC1- InChIKey
LAULSHVBQKQWBA-UHFFFAOYSA-N- Molecular formula
- C14H22O
- Average molar mass
- 206.32 g/mol
- Monoisotopic mass
- 206.16706532
Names & identifiers
- Preferred name
- 5-[4-(1-Methylethyl)-1-cyclohexen-1-yl]-4-pentenal
- IUPAC
- 5-(4-propan-2-ylcyclohexen-1-yl)pent-4-enal
Names & synonyms
LAULSHVBQKQWBA-UHFFFAOYSA-NDTXSID601228716NS000662065-[4-(propan-2-yl)cyclohex-1-en-1-yl]pent-4-enal5-[4-(1-Methylethyl)-1-cyclohexen-1-yl]-4-pentenal
Database identifiers
- CAS
94201-07-7- PubChem CID
- 3023977
- DTXSID
DTXSID601228716
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
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Compound notes
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