1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene

C32H46 — CID 634748

IUPAC1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C32H46/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h17-28H,3-16H2,1-2H3
InChIKeyPJBOOKMLDPERRS-UHFFFAOYSA-N
MW430.72 g/mol
LogP10.28
Rot. Bonds9

About 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene

1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 634748) has the molecular formula C32H46 and a molecular weight of 430.72 g/mol. Its IUPAC name is 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID634748
Molecular FormulaC32H46
Molecular Weight430.72 g/mol
Exact Mass430.36
IUPAC Name1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1
InChIInChI=1S/C32H46/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h17-28H,3-16H2,1-2H3
InChIKeyPJBOOKMLDPERRS-UHFFFAOYSA-N
XLogP10.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene (CID 634748) is 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)cc2)CC1.
What is the InChIKey of 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is PJBOOKMLDPERRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h17-28H,3-16H2,1-2H3.
What are the key properties of 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene?
1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 430.72 g/mol, XLogP of 10.28, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 634748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).