1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene

C35H50 — CID 123661068

IUPAC1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
SMILESCCCCCc1ccc(CCC2C=CC(c3ccc(CCC4CCC(CC)CC4)cc3)CC2)cc1
InChIInChI=1S/C35H50/c1-3-5-6-7-29-12-14-31(15-13-29)17-19-33-22-26-35(27-23-33)34-24-20-32(21-25-34)18-16-30-10-8-28(4-2)9-11-30/h12-15,20-22,24-26,28,30,33,35H,3-11,16-19,23,27H2,1-2H3
InChIKeyNSZFEKYFPDHYKJ-UHFFFAOYSA-N
MW470.79 g/mol
LogP10.25
Rot. Bonds12

About 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene

1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene (PubChem CID 123661068) has the molecular formula C35H50 and a molecular weight of 470.79 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
PubChem CID123661068
Molecular FormulaC35H50
Molecular Weight470.79 g/mol
Exact Mass470.39
IUPAC Name1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
SMILESCCCCCc1ccc(CCC2C=CC(c3ccc(CCC4CCC(CC)CC4)cc3)CC2)cc1
InChIInChI=1S/C35H50/c1-3-5-6-7-29-12-14-31(15-13-29)17-19-33-22-26-35(27-23-33)34-24-20-32(21-25-34)18-16-30-10-8-28(4-2)9-11-30/h12-15,20-22,24-26,28,30,33,35H,3-11,16-19,23,27H2,1-2H3
InChIKeyNSZFEKYFPDHYKJ-UHFFFAOYSA-N
XLogP10.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.79
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butylphenyl)-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123564323
1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123902166
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123777474
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-pentyl-4-[4-[(E)-4-[4-(4-propylcyclohexyl)phenyl]but-1-enyl]cyclohex-2-en-1-yl]benzene
CID 140619241
5-[2-(4-ethylcyclohexyl)ethyl]-2-(4-nonylphenyl)pyrimidine
CID 54448604
1-[4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]butyl]-4-(4-propylcyclohexyl)benzene
CID 123794995
1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 140619180
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene (CID 123661068) is 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene is CCCCCc1ccc(CCC2C=CC(c3ccc(CCC4CCC(CC)CC4)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene?
The InChIKey is NSZFEKYFPDHYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50/c1-3-5-6-7-29-12-14-31(15-13-29)17-19-33-22-26-35(27-23-33)34-24-20-32(21-25-34)18-16-30-10-8-28(4-2)9-11-30/h12-15,20-22,24-26,28,30,33,35H,3-11,16-19,23,27H2,1-2H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene?
1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene has a molecular weight of 470.79 g/mol, XLogP of 10.25, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene is sourced from PubChem (CID 123661068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).