Basic information
- CAS
1192653-60-3- Standard SMILES
CCCCC1CCC(C(C)OC(=O)c2ccccc2C(=O)O)CC1- InChIKey
PVGZFRRNZJEOQV-UHFFFAOYSA-N- Molecular formula
- C20H28O4
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.19875937
Names & identifiers
- Preferred name
- 2-{[1-(4-Butylcyclohexyl)ethoxy]carbonyl}benzoic acid
- IUPAC
- 2-[1-(4-butylcyclohexyl)ethoxycarbonyl]benzoic acid
- English name
- 2-{[1-(4-butylcyclohexyl)ethoxy]carbonyl}benzoic acid
- Molecular formula
- C20H28O4
- Molecular weight
- 332.43392
Names & synonyms
2-{[1-(4-butylcyclohexyl)ethoxy]carbonyl}benzoic acidAN-651/432784072-[1-(4-butylcyclohexyl)ethoxycarbonyl]benzoic acid
Database identifiers
- CAS
1192653-60-3- PubChem CID
- 11839350
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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