1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene

C36H56 — CID 20539044

IUPAC1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
SMILESCCCCCCCCCCCCC1CCC(c2ccc(-c3ccc(CC(C)CCC)cc3)cc2)CC1
InChIInChI=1S/C36H56/c1-4-6-7-8-9-10-11-12-13-14-16-31-17-21-33(22-18-31)35-25-27-36(28-26-35)34-23-19-32(20-24-34)29-30(3)15-5-2/h19-20,23-28,30-31,33H,4-18,21-22,29H2,1-3H3
InChIKeyGWXWXBZOPCJINR-UHFFFAOYSA-N
MW488.84 g/mol
LogP11.92
Rot. Bonds17

About 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene

1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene (PubChem CID 20539044) has the molecular formula C36H56 and a molecular weight of 488.84 g/mol. Its IUPAC name is 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
PubChem CID20539044
Molecular FormulaC36H56
Molecular Weight488.84 g/mol
Exact Mass488.44
IUPAC Name1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
SMILESCCCCCCCCCCCCC1CCC(c2ccc(-c3ccc(CC(C)CCC)cc3)cc2)CC1
InChIInChI=1S/C36H56/c1-4-6-7-8-9-10-11-12-13-14-16-31-17-21-33(22-18-31)35-25-27-36(28-26-35)34-23-19-32(20-24-34)29-30(3)15-5-2/h19-20,23-28,30-31,33H,4-18,21-22,29H2,1-3H3
InChIKeyGWXWXBZOPCJINR-UHFFFAOYSA-N
XLogP11.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.84
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-decylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene
CID 20538885
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985

Frequently Asked Questions

What is the IUPAC name of 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene?
The IUPAC name of 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene (CID 20539044) is 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene.
What is the SMILES notation for 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene?
The canonical SMILES for 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene is CCCCCCCCCCCCC1CCC(c2ccc(-c3ccc(CC(C)CCC)cc3)cc2)CC1.
What is the InChIKey of 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene?
The InChIKey is GWXWXBZOPCJINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H56/c1-4-6-7-8-9-10-11-12-13-14-16-31-17-21-33(22-18-31)35-25-27-36(28-26-35)34-23-19-32(20-24-34)29-30(3)15-5-2/h19-20,23-28,30-31,33H,4-18,21-22,29H2,1-3H3.
What are the key properties of 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene?
1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene has a molecular weight of 488.84 g/mol, XLogP of 11.92, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dodecylcyclohexyl)-4-[4-(2-methylpentyl)phenyl]benzene is sourced from PubChem (CID 20539044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).