Basic information
- Standard SMILES
CCCCCC1CCC(C2CCC(C(=O)OCCCCCCBr)CC2)CC1- InChIKey
WOOORVVFCJHVQR-UHFFFAOYSA-N- Molecular formula
- C24H43BrO2
- Average molar mass
- 443.5 g/mol
- Monoisotopic mass
- 442.24464
Names & identifiers
- Preferred name
- 4'-Pentyl-bicyclohexyl-4-carboxylic acid 6-bromo-hexyl ester
- IUPAC
- 6-bromohexyl 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
Names & synonyms
SCHEMBL3477855WOOORVVFCJHVQR-UHFFFAOYSA-N4'-pentyl-bicyclohexyl-4-carboxylic acid 6-bromo-hexyl ester
Database identifiers
- PubChem CID
- 59289042
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 382
Related reactions
1 records
Compound notes
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