5bcHCaAF2P
Basic information
- CAS
372983-54-5- Standard SMILES
CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(CC)c(F)c3)CC2)CC1- InChIKey
OQSYYXBJYLOOLB-UHFFFAOYSA-N- Molecular formula
- C26H39FO2
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.29340864
Names & identifiers
- Preferred name
- 5bcHCaAF2P
- IUPAC
- (4-ethyl-3-fluorophenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate
Names & synonyms
5bcHCaAF2PDTXSID0013818054-ethyl-3-fluorophenyl 4'-pentyl-[1,1'-bi(cyclohexane)]-4-carboxylate4-Ethyl-3-fluorophenyl (trans,trans)-4a(2)-pentyl[1,1a(2)-bicyclohexyl]-4-carboxylate372983-54-5
Database identifiers
- CAS
372983-54-5- PubChem CID
- 175685611
- DTXSID
DTXSID001381805
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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