1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene

C22H28 — CID 145399611

IUPAC1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESC=C(C)C(C)(CC)c1ccc(Cc2ccc(C)cc2)cc1C
InChIInChI=1S/C22H28/c1-7-22(6,16(2)3)21-13-12-20(14-18(21)5)15-19-10-8-17(4)9-11-19/h8-14H,2,7,15H2,1,3-6H3
InChIKeyKBXOJLGLOCENHH-UHFFFAOYSA-N
MW292.47 g/mol
LogP6.14
Rot. Bonds5

About 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene

1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene (PubChem CID 145399611) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene.

Molecular Properties

Compound Name1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene
PubChem CID145399611
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene
SMILESC=C(C)C(C)(CC)c1ccc(Cc2ccc(C)cc2)cc1C
InChIInChI=1S/C22H28/c1-7-22(6,16(2)3)21-13-12-20(14-18(21)5)15-19-10-8-17(4)9-11-19/h8-14H,2,7,15H2,1,3-6H3
InChIKeyKBXOJLGLOCENHH-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.14
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-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene?
The IUPAC name of 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene (CID 145399611) is 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene.
What is the SMILES notation for 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene?
The canonical SMILES for 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene is C=C(C)C(C)(CC)c1ccc(Cc2ccc(C)cc2)cc1C.
What is the InChIKey of 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene?
The InChIKey is KBXOJLGLOCENHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28/c1-7-22(6,16(2)3)21-13-12-20(14-18(21)5)15-19-10-8-17(4)9-11-19/h8-14H,2,7,15H2,1,3-6H3.
What are the key properties of 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene?
1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene has a molecular weight of 292.47 g/mol, XLogP of 6.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylpent-1-en-3-yl)-2-methyl-4-[(4-methylphenyl)methyl]benzene is sourced from PubChem (CID 145399611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).