1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene

C27H36 — CID 123959036

IUPAC1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene
SMILESC=C(CCCc1cc(-c2ccc(C)cc2)cc(C2CCCCC2)c1)C(C)C
InChIInChI=1S/C27H36/c1-20(2)22(4)9-8-10-23-17-26(24-11-6-5-7-12-24)19-27(18-23)25-15-13-21(3)14-16-25/h13-20,24H,4-12H2,1-3H3
InChIKeyCAMARFKANDDKGK-UHFFFAOYSA-N
MW360.59 g/mol
LogP8.24
Rot. Bonds7

About 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene

1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene (PubChem CID 123959036) has the molecular formula C27H36 and a molecular weight of 360.59 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene
PubChem CID123959036
Molecular FormulaC27H36
Molecular Weight360.59 g/mol
Exact Mass360.28
IUPAC Name1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene
SMILESC=C(CCCc1cc(-c2ccc(C)cc2)cc(C2CCCCC2)c1)C(C)C
InChIInChI=1S/C27H36/c1-20(2)22(4)9-8-10-23-17-26(24-11-6-5-7-12-24)19-27(18-23)25-15-13-21(3)14-16-25/h13-20,24H,4-12H2,1-3H3
InChIKeyCAMARFKANDDKGK-UHFFFAOYSA-N
XLogP8.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.59
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene?
The IUPAC name of 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene (CID 123959036) is 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene.
What is the SMILES notation for 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene?
The canonical SMILES for 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene is C=C(CCCc1cc(-c2ccc(C)cc2)cc(C2CCCCC2)c1)C(C)C.
What is the InChIKey of 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene?
The InChIKey is CAMARFKANDDKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36/c1-20(2)22(4)9-8-10-23-17-26(24-11-6-5-7-12-24)19-27(18-23)25-15-13-21(3)14-16-25/h13-20,24H,4-12H2,1-3H3.
What are the key properties of 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene?
1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene has a molecular weight of 360.59 g/mol, XLogP of 8.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene is sourced from PubChem (CID 123959036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).