Cyclohexanecarboxylic acid, 4-hexyl-, 4-ethoxyphenyl ester, trans-
Basic information
- CAS
90311-54-9- Standard SMILES
CCCCCCC1CCC(C(=O)Oc2ccc(OCC)cc2)CC1- InChIKey
WEFKCJFGOARXCB-UHFFFAOYSA-N- Molecular formula
- C21H32O3
- Average molar mass
- 332.5 g/mol
- Monoisotopic mass
- 332.23514488
Names & identifiers
- Preferred name
- Cyclohexanecarboxylic acid, 4-hexyl-, 4-ethoxyphenyl ester, trans-
- IUPAC
- (4-ethoxyphenyl) 4-hexylcyclohexane-1-carboxylate
Names & synonyms
Cyclohexanecarboxylic acid, 4-hexyl-, 4-ethoxyphenyl ester, trans-90311-54-9(4-ethoxyphenyl) 4-hexylcyclohexane-1-carboxylate4-ETHOXYPHENYL 4-HEXYLCYCLOHEXANE-1-CARBOXYLATESCHEMBL3278501SCHEMBL9402522DTXSID90398701AKOS001483267NCGC00336165-01AB01329694-02SR-01000389337SR-01000389337-1
Database identifiers
- CAS
90311-54-9- PubChem CID
- 4038985
- DTXSID
DTXSID90398701
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
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Related reactions
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Compound notes
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