1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene

C34H52 — CID 140619239

IUPAC1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCCCC1C=CC(/C=C/C2CCC(C3CCC(c4ccc(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/h9,11,13-16,19-20,28-30,32-34H,3-8,10,12,17-18,21-26H2,1-2H3/b14-13+
InChIKeyOESFCHBCPREIDR-BUHFOSPRSA-N
MW460.79 g/mol
LogP10.44
Rot. Bonds10

About 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene

1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene (PubChem CID 140619239) has the molecular formula C34H52 and a molecular weight of 460.79 g/mol. Its IUPAC name is 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Name1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
PubChem CID140619239
Molecular FormulaC34H52
Molecular Weight460.79 g/mol
Exact Mass460.41
IUPAC Name1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
SMILESCCCCCC1C=CC(/C=C/C2CCC(C3CCC(c4ccc(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/h9,11,13-16,19-20,28-30,32-34H,3-8,10,12,17-18,21-26H2,1-2H3/b14-13+
InChIKeyOESFCHBCPREIDR-BUHFOSPRSA-N
XLogP10.44
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 ≤ 510.44
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-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene with MolForge

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Related Compounds

1-butyl-4-[4-[(E)-2-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]ethenyl]cyclohexyl]benzene
CID 140619215
1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene
CID 123889648
(E)-3-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]prop-2-enenitrile
CID 19612816
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 169027149
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
1-[4-[(E)-2-(4-pentylcyclohexyl)ethenyl]cyclohexyl]-4-(4-propylcyclohex-2-en-1-yl)benzene
CID 140619180
(E)-3-[4-(4-pentylphenyl)cyclohexyl]prop-2-enenitrile
CID 19613186
1-[4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]butyl]-4-(4-propylcyclohexyl)benzene
CID 123794995
1-butyl-4-[4-[(E)-4-(4-propylphenyl)but-1-en-3-ynyl]cyclohexyl]benzene
CID 18657294
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene?
The IUPAC name of 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene (CID 140619239) is 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene.
What is the SMILES notation for 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene?
The canonical SMILES for 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene is CCCCCC1C=CC(/C=C/C2CCC(C3CCC(c4ccc(CCC)cc4)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene?
The InChIKey is OESFCHBCPREIDR-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/h9,11,13-16,19-20,28-30,32-34H,3-8,10,12,17-18,21-26H2,1-2H3/b14-13+.
What are the key properties of 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene?
1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene has a molecular weight of 460.79 g/mol, XLogP of 10.44, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene is sourced from PubChem (CID 140619239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).