1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene

C34H42 — CID 176625829

IUPAC1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene
SMILESC=CC1CCC(CCc2ccc(C(C)(C)c3ccc(CCc4cccc(C)c4)cc3)cc2)CC1
InChIInChI=1S/C34H42/c1-5-27-9-11-28(12-10-27)13-14-29-17-21-32(22-18-29)34(3,4)33-23-19-30(20-24-33)15-16-31-8-6-7-26(2)25-31/h5-8,17-25,27-28H,1,9-16H2,2-4H3
InChIKeyHAATYPRLSOTMOT-UHFFFAOYSA-N
MW450.71 g/mol
LogP9.03
Rot. Bonds9

About 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene

1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene (PubChem CID 176625829) has the molecular formula C34H42 and a molecular weight of 450.71 g/mol. Its IUPAC name is 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene
PubChem CID176625829
Molecular FormulaC34H42
Molecular Weight450.71 g/mol
Exact Mass450.33
IUPAC Name1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene
SMILESC=CC1CCC(CCc2ccc(C(C)(C)c3ccc(CCc4cccc(C)c4)cc3)cc2)CC1
InChIInChI=1S/C34H42/c1-5-27-9-11-28(12-10-27)13-14-29-17-21-32(22-18-29)34(3,4)33-23-19-30(20-24-33)15-16-31-8-6-7-26(2)25-31/h5-8,17-25,27-28H,1,9-16H2,2-4H3
InChIKeyHAATYPRLSOTMOT-UHFFFAOYSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 59.03
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-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene?
The IUPAC name of 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene (CID 176625829) is 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene.
What is the SMILES notation for 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene?
The canonical SMILES for 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene is C=CC1CCC(CCc2ccc(C(C)(C)c3ccc(CCc4cccc(C)c4)cc3)cc2)CC1.
What is the InChIKey of 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene?
The InChIKey is HAATYPRLSOTMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42/c1-5-27-9-11-28(12-10-27)13-14-29-17-21-32(22-18-29)34(3,4)33-23-19-30(20-24-33)15-16-31-8-6-7-26(2)25-31/h5-8,17-25,27-28H,1,9-16H2,2-4H3.
What are the key properties of 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene?
1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene has a molecular weight of 450.71 g/mol, XLogP of 9.03, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]propan-2-yl]-4-[2-(3-methylphenyl)ethyl]benzene is sourced from PubChem (CID 176625829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).