1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene

C34H58 — CID 18965925

IUPAC1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
SMILESCCCCCC1CCC(CCCCc2ccc(CCC3CCC(CCCCC)CC3)cc2)CC1
InChIInChI=1S/C34H58/c1-3-5-7-11-29-15-17-31(18-16-29)13-9-10-14-32-21-25-34(26-22-32)28-27-33-23-19-30(20-24-33)12-8-6-4-2/h21-22,25-26,29-31,33H,3-20,23-24,27-28H2,1-2H3
InChIKeyYBDFKBFZAZFXGW-UHFFFAOYSA-N
MW466.84 g/mol
LogP11.11
Rot. Bonds16

About 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene

1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene (PubChem CID 18965925) has the molecular formula C34H58 and a molecular weight of 466.84 g/mol. Its IUPAC name is 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene.

Molecular Properties

Compound Name1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
PubChem CID18965925
Molecular FormulaC34H58
Molecular Weight466.84 g/mol
Exact Mass466.45
IUPAC Name1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
SMILESCCCCCC1CCC(CCCCc2ccc(CCC3CCC(CCCCC)CC3)cc2)CC1
InChIInChI=1S/C34H58/c1-3-5-7-11-29-15-17-31(18-16-29)13-9-10-14-32-21-25-34(26-22-32)28-27-33-23-19-30(20-24-33)12-8-6-4-2/h21-22,25-26,29-31,33H,3-20,23-24,27-28H2,1-2H3
InChIKeyYBDFKBFZAZFXGW-UHFFFAOYSA-N
XLogP11.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene with MolForge

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Related Compounds

1-methyl-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965894
1-chloro-4-[4-(4-pentylcyclohexyl)butyl]benzene
CID 18965949
4-[4-(4-pentylcyclohexyl)butyl]phenol
CID 19371124
5-nonyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyrimidine
CID 19839661
2-(4-heptylphenyl)-5-[2-(4-nonylcyclohexyl)ethyl]pyrimidine
CID 54214965
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
1-heptyl-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 57294543
1-octyl-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 19739264
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
4-[2-(4-butylcyclohexyl)ethyl]benzenethiol
CID 173376094
[4-[2-(4-butylphenyl)ethyl]cyclohexyl]methanamine
CID 59546082
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene?
The IUPAC name of 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene (CID 18965925) is 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene.
What is the SMILES notation for 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene?
The canonical SMILES for 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene is CCCCCC1CCC(CCCCc2ccc(CCC3CCC(CCCCC)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene?
The InChIKey is YBDFKBFZAZFXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H58/c1-3-5-7-11-29-15-17-31(18-16-29)13-9-10-14-32-21-25-34(26-22-32)28-27-33-23-19-30(20-24-33)12-8-6-4-2/h21-22,25-26,29-31,33H,3-20,23-24,27-28H2,1-2H3.
What are the key properties of 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene?
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene has a molecular weight of 466.84 g/mol, XLogP of 11.11, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene is sourced from PubChem (CID 18965925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).