1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene

C29H42 — CID 20539068

IUPAC1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
SMILESCCCCCCCCCCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C29H42/c1-3-4-5-6-7-8-9-10-11-25-14-18-27(19-15-25)29-22-20-28(21-23-29)26-16-12-24(2)13-17-26/h12-13,16-17,20-23,25,27H,3-11,14-15,18-19H2,1-2H3
InChIKeyIJYABHDCAOSNJX-UHFFFAOYSA-N
MW390.66 g/mol
LogP9.47
Rot. Bonds11

About 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene

1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene (PubChem CID 20539068) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
PubChem CID20539068
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
SMILESCCCCCCCCCCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1
InChIInChI=1S/C29H42/c1-3-4-5-6-7-8-9-10-11-25-14-18-27(19-15-25)29-22-20-28(21-23-29)26-16-12-24(2)13-17-26/h12-13,16-17,20-23,25,27H,3-11,14-15,18-19H2,1-2H3
InChIKeyIJYABHDCAOSNJX-UHFFFAOYSA-N
XLogP9.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 59.47
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-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-heptyl-4-(4-methylphenyl)benzene;1-(4-hexylcyclohexyl)-4-methylbenzene;methane;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-methyl-4-(4-pentylphenyl)benzene;1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 161465847
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-methyl-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;bis(1-methyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene)
CID 161029870
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
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-nonylcyclohexyl)phenyl]benzene
CID 20539243

Frequently Asked Questions

What is the IUPAC name of 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene?
The IUPAC name of 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene (CID 20539068) is 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene?
The canonical SMILES for 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene is CCCCCCCCCCC1CCC(c2ccc(-c3ccc(C)cc3)cc2)CC1.
What is the InChIKey of 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene?
The InChIKey is IJYABHDCAOSNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42/c1-3-4-5-6-7-8-9-10-11-25-14-18-27(19-15-25)29-22-20-28(21-23-29)26-16-12-24(2)13-17-26/h12-13,16-17,20-23,25,27H,3-11,14-15,18-19H2,1-2H3.
What are the key properties of 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene?
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene has a molecular weight of 390.66 g/mol, XLogP of 9.47, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene is sourced from PubChem (CID 20539068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).