1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene

C26H40 — CID 123777474

IUPAC1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
SMILESCCCCCC1CCC(c2ccc(C3C=CC(CCC)CC3)cc2)CC1
InChIInChI=1S/C26H40/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h9,13,17-24H,3-8,10-12,14-16H2,1-2H3
InChIKeyMGGFYACGLVGBON-UHFFFAOYSA-N
MW352.61 g/mol
LogP8.39
Rot. Bonds8

About 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene

1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene (PubChem CID 123777474) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
PubChem CID123777474
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Name1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
SMILESCCCCCC1CCC(c2ccc(C3C=CC(CCC)CC3)cc2)CC1
InChIInChI=1S/C26H40/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h9,13,17-24H,3-8,10-12,14-16H2,1-2H3
InChIKeyMGGFYACGLVGBON-UHFFFAOYSA-N
XLogP8.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 58.39
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-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 140619180
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123902166
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-[4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]butyl]-4-(4-propylcyclohexyl)benzene
CID 123794995
1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123661068
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene?
The IUPAC name of 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene (CID 123777474) is 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene is CCCCCC1CCC(c2ccc(C3C=CC(CCC)CC3)cc2)CC1.
What is the InChIKey of 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene?
The InChIKey is MGGFYACGLVGBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h9,13,17-24H,3-8,10-12,14-16H2,1-2H3.
What are the key properties of 1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene?
1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene has a molecular weight of 352.61 g/mol, XLogP of 8.39, 8 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-propylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 123777474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).