4-(Cyclohex-3-en-1-yl)butanoic acid
Basic information
- CAS
13487-63-3- Standard SMILES
O=C(O)CCCC1CC=CCC1- InChIKey
PXOIHFYYWYKBSL-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- 4-(Cyclohex-3-en-1-yl)butanoic acid
- IUPAC
- 4-cyclohex-3-en-1-ylbutanoic acid
Names & synonyms
4-(Cyclohex-3-en-1-yl)butanoic acid13487-63-3SCHEMBL9182805DTXSID804976914-(1-cyclohex-3-enyl)-butyric acid4-(3-cyclohexen-1-yl)butanoic acidEN300-1828238
Database identifiers
- CAS
13487-63-3- PubChem CID
- 12425628
- DTXSID
DTXSID80497691- Nikkaji
- J357.456C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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