Basic information
- Standard SMILES
CCCCOC(=O)C1CCC(C(=O)O)CC1- InChIKey
WBOSBXUVXRYGKG-UHFFFAOYSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- cis-4-(Butoxycarbonyl)cyclohexanecarboxylic acid
- IUPAC
- 4-butoxycarbonylcyclohexane-1-carboxylic acid
Names & synonyms
SCHEMBL988226SCHEMBL1297314SCHEMBL13737569WBOSBXUVXRYGKG-AOOOYVTPSA-NWBOSBXUVXRYGKG-MGCOHNPYSA-Ncis-4-(butoxycarbonyl)cyclohexane carboxylic acidcis-4-(butoxycarbonyl)cyclohexanecarboxylic acidtrans-4-(butoxycarbonyl)cyclohexanecarboxylic acidtrans-4-(butoxycarbonyl)cyclohexanecarboxylic-acid
Database identifiers
- PubChem CID
- 14716775
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Related reactions
3 records
Compound notes
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