Basic information
- Standard SMILES
CCCCOC(=O)C1CCC(CO)CC1- InChIKey
DDZJSPUFLMBOLX-UHFFFAOYSA-N- Molecular formula
- C12H22O3
- Average molar mass
- 214.3 g/mol
Names & identifiers
- Preferred name
- Butyl cis-4-(hydroxymethyl)cyclohexanecarboxylate
- IUPAC
- butyl 4-(hydroxymethyl)cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL879951SCHEMBL5007206DDZJSPUFLMBOLX-PHIMTYICSA-Nbutyl cis-4-(hydroxymethyl)cyclohexanecarboxylate
Database identifiers
- PubChem CID
- 59834892
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
2 records
Compound notes
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