4-[4-(4-Methoxy-4'-propylbicyclohexyl-4-yl)buta-1,3-diynyl]-4-methoxy-4'-propylbicyclohexyl

HCID 22013394
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Basic information

Standard SMILES
CCCC1CCC(C2CCC(C#CC#CC3(OC)CCC(C4CCC(CCC)CC4)CC3)(OC)CC2)CC1
InChIKey
XOWPJQPXBDQEQV-UHFFFAOYSA-N
Molecular formula
C36H58O2
Average molar mass
522.8 g/mol

Names & identifiers

Preferred name
4-[4-(4-Methoxy-4'-propylbicyclohexyl-4-yl)buta-1,3-diynyl]-4-methoxy-4'-propylbicyclohexyl
IUPAC
1-methoxy-1-[4-[1-methoxy-4-(4-propylcyclohexyl)cyclohexyl]buta-1,3-diynyl]-4-(4-propylcyclohexyl)cyclohexane

Names & synonyms

SCHEMBL7911888XOWPJQPXBDQEQV-UHFFFAOYSA-N4-[4-(4-methoxy-4'-propylbicyclohexyl-4-yl)buta-1,3-diynyl]-4-methoxy-4'-propylbicyclohexyl

Database identifiers

PubChem CID
22013394

Properties

Computed structural properties

XLogP
11.2
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
38

Related reactions

1 records
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Compound notes

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