1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene

C34H52 — CID 140619180

IUPAC1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene
SMILESCCCCCC1CCC(/C=C/C2CCC(c3ccc(C4C=CC(CCC)CC4)cc3)CC2)CC1
InChIInChI=1S/C34H52/c1-3-5-6-8-28-9-11-29(12-10-28)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-27(7-4-2)16-20-31/h13-15,19,23-32H,3-12,16-18,20-22H2,1-2H3/b14-13+
InChIKeyCAHRXJYWXHVXRI-BUHFOSPRSA-N
MW460.79 g/mol
LogP10.75
Rot. Bonds10

About 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene

1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene (PubChem CID 140619180) has the molecular formula C34H52 and a molecular weight of 460.79 g/mol. Its IUPAC name is 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene
PubChem CID140619180
Molecular FormulaC34H52
Molecular Weight460.79 g/mol
Exact Mass460.41
IUPAC Name1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene
SMILESCCCCCC1CCC(/C=C/C2CCC(c3ccc(C4C=CC(CCC)CC4)cc3)CC2)CC1
InChIInChI=1S/C34H52/c1-3-5-6-8-28-9-11-29(12-10-28)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-27(7-4-2)16-20-31/h13-15,19,23-32H,3-12,16-18,20-22H2,1-2H3/b14-13+
InChIKeyCAHRXJYWXHVXRI-BUHFOSPRSA-N
XLogP10.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 510.75
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'}

Analyze 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene with MolForge

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Related Compounds

1-(4-pentylcyclohexyl)-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123777474
4-[4-[2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 67707796
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-pentyl-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 123902166
4-[4-[2-(4-butylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 139659671
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
1-(4-methylcyclohexyl)-4-(4-pentylcyclohexyl)benzene
CID 20538217
1-butyl-4-[4-[(E)-2-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]ethenyl]cyclohexyl]benzene
CID 140619215
1-chloro-4-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]cyclohexyl]benzene
CID 139629437
1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 140619239
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene?
The IUPAC name of 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene (CID 140619180) is 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene is CCCCCC1CCC(/C=C/C2CCC(c3ccc(C4C=CC(CCC)CC4)cc3)CC2)CC1.
What is the InChIKey of 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene?
The InChIKey is CAHRXJYWXHVXRI-BUHFOSPRSA-N. The full InChI is InChI=1S/C34H52/c1-3-5-6-8-28-9-11-29(12-10-28)13-14-30-17-21-32(22-18-30)34-25-23-33(24-26-34)31-19-15-27(7-4-2)16-20-31/h13-15,19,23-32H,3-12,16-18,20-22H2,1-2H3/b14-13+.
What are the key properties of 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene?
1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene has a molecular weight of 460.79 g/mol, XLogP of 10.75, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 140619180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).