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

C28H40 — CID 15606766

IUPAC1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc1
InChIInChI=1S/C28H40/c1-3-5-7-9-23-11-15-25(16-12-23)27-19-21-28(22-20-27)26-17-13-24(14-18-26)10-8-6-4-2/h11-12,15-16,19-22,24,26H,3-10,13-14,17-18H2,1-2H3
InChIKeyGVZFNAQZYYUPER-UHFFFAOYSA-N
MW376.63 g/mol
LogP8.94
Rot. Bonds10

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

1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 15606766) has the molecular formula C28H40 and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID15606766
Molecular FormulaC28H40
Molecular Weight376.63 g/mol
Exact Mass376.31
IUPAC Name1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc1
InChIInChI=1S/C28H40/c1-3-5-7-9-23-11-15-25(16-12-23)27-19-21-28(22-20-27)26-17-13-24(14-18-26)10-8-6-4-2/h11-12,15-16,19-22,24,26H,3-10,13-14,17-18H2,1-2H3
InChIKeyGVZFNAQZYYUPER-UHFFFAOYSA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 58.94
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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Related Compounds

1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 161465847
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene (CID 15606766) is 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene is CCCCCc1ccc(-c2ccc(C3CCC(CCCCC)CC3)cc2)cc1.
What is the InChIKey of 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is GVZFNAQZYYUPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40/c1-3-5-7-9-23-11-15-25(16-12-23)27-19-21-28(22-20-27)26-17-13-24(14-18-26)10-8-6-4-2/h11-12,15-16,19-22,24,26H,3-10,13-14,17-18H2,1-2H3.
What are the key properties of 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 376.63 g/mol, XLogP of 8.94, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 15606766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).