1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene

C33H52 — CID 91280096

IUPAC1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene
SMILESC=CC1CCC(c2ccc(CCC(CCC)C(C3CCCCC3)C3CCCCC3)cc2)CC1
InChIInChI=1S/C33H52/c1-3-11-30(33(31-12-7-5-8-13-31)32-14-9-6-10-15-32)25-20-27-18-23-29(24-19-27)28-21-16-26(4-2)17-22-28/h4,18-19,23-24,26,28,30-33H,2-3,5-17,20-22,25H2,1H3
InChIKeyFUPNOECWIOQEKI-UHFFFAOYSA-N
MW448.78 g/mol
LogP10.27
Rot. Bonds10

About 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene

1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene (PubChem CID 91280096) has the molecular formula C33H52 and a molecular weight of 448.78 g/mol. Its IUPAC name is 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene
PubChem CID91280096
Molecular FormulaC33H52
Molecular Weight448.78 g/mol
Exact Mass448.41
IUPAC Name1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene
SMILESC=CC1CCC(c2ccc(CCC(CCC)C(C3CCCCC3)C3CCCCC3)cc2)CC1
InChIInChI=1S/C33H52/c1-3-11-30(33(31-12-7-5-8-13-31)32-14-9-6-10-15-32)25-20-27-18-23-29(24-19-27)28-21-16-26(4-2)17-22-28/h4,18-19,23-24,26,28,30-33H,2-3,5-17,20-22,25H2,1H3
InChIKeyFUPNOECWIOQEKI-UHFFFAOYSA-N
XLogP10.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
1-(4-ethenylcyclohexyl)-4-prop-2-enylbenzene
CID 147093203
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
6-[4-(4-ethenylcyclohexyl)phenyl]-2-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853341
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 145309431
1-[4-(4-buta-1,3-dienylcyclohexyl)cyclohexyl]-4-propylbenzene
CID 173325591
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
N-[[4-(4-methylcyclohexyl)phenyl]methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 54452595
1-cyclohexyl-4-(2-ethenoxyethyl)benzene
CID 177370560
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene?
The IUPAC name of 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene (CID 91280096) is 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene.
What is the SMILES notation for 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene?
The canonical SMILES for 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene is C=CC1CCC(c2ccc(CCC(CCC)C(C3CCCCC3)C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene?
The InChIKey is FUPNOECWIOQEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52/c1-3-11-30(33(31-12-7-5-8-13-31)32-14-9-6-10-15-32)25-20-27-18-23-29(24-19-27)28-21-16-26(4-2)17-22-28/h4,18-19,23-24,26,28,30-33H,2-3,5-17,20-22,25H2,1H3.
What are the key properties of 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene?
1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene has a molecular weight of 448.78 g/mol, XLogP of 10.27, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene is sourced from PubChem (CID 91280096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).