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

HCID 22013392
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Basic information

Standard SMILES
CCCCCC1CCC(C2CCC(C#CC#CC3(OC)CCC(C4CCC(CCC)CC4)CC3)(CCCCC)CC2)CC1
InChIKey
ZBYURSBYXBSHQD-UHFFFAOYSA-N
Molecular formula
C42H70O
Average molar mass
591 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL7914962ZBYURSBYXBSHQD-UHFFFAOYSA-N4-[4-(4,4'-dipentylbicyclohexyl-4-yl)buta-1,3-diynyl]-4-methoxy-4'-propylbicyclohexyl

Database identifiers

PubChem CID
22013392

Properties

Computed structural properties

XLogP
16.2
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
16
Heavy atoms
43

Related reactions

1 records
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Compound notes

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