4-[4-(4-Pentylbicyclo[2.2.2]octyl)phenyl]cyclohexanone

HCID 21257793
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Basic information

Standard SMILES
CCCCCC12CCC(c3ccc(C4CCC(=O)CC4)cc3)(CC1)CC2
InChIKey
XUHJNFPKJYENPV-UHFFFAOYSA-N
Molecular formula
C25H36O
Average molar mass
352.6 g/mol

Names & identifiers

Preferred name
4-[4-(4-Pentylbicyclo[2.2.2]octyl)phenyl]cyclohexanone
IUPAC
4-[4-(4-pentyl-1-bicyclo[2.2.2]octanyl)phenyl]cyclohexan-1-one

Names & synonyms

SCHEMBL7030252XUHJNFPKJYENPV-UHFFFAOYSA-N4-[4-(4-pentylbicyclo[2.2.2]octyl)penyl]cyclohexanone4-[4-(4-pentylbicyclo[2.2.2]octyl)phenyl]cyclohexanone

Database identifiers

PubChem CID
21257793

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
26

Related reactions

3 records
New reaction record

Linked notes

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