1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene

C16H24 — CID 143683561

IUPAC1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene
SMILESC/C(=C\C(C)C)C(C)(C)c1ccc(C)cc1
InChIInChI=1S/C16H24/c1-12(2)11-14(4)16(5,6)15-9-7-13(3)8-10-15/h7-12H,1-6H3/b14-11+
InChIKeyARHDABHRYQBTIZ-SDNWHVSQSA-N
MW216.37 g/mol
LogP4.87
Rot. Bonds3

About 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene

1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene (PubChem CID 143683561) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene
PubChem CID143683561
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene
SMILESC/C(=C\C(C)C)C(C)(C)c1ccc(C)cc1
InChIInChI=1S/C16H24/c1-12(2)11-14(4)16(5,6)15-9-7-13(3)8-10-15/h7-12H,1-6H3/b14-11+
InChIKeyARHDABHRYQBTIZ-SDNWHVSQSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-2,3-dimethylpent-3-en-2-yl]-4-methylbenzene
CID 143022578
(2R)-3-methyl-2-(4-methylphenyl)butan-2-ol
CID 93299009
1-tert-butyl-4-methylbenzene
CID 163486601
1-(2,3-dimethylbutan-2-yl)-4-methylbenzene;ethane
CID 142109558
4-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenol
CID 58381771
(3S)-2,3,4-trimethyl-4-(4-methylphenyl)pentan-2-ol
CID 125487298
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-[(3E)-3-ethylidene-2-methylhex-5-en-2-yl]-4-methylbenzene
CID 145272327
4-methylphenol;2-methylpropane
CID 91606636
1-methyl-4-[(E)-2-methyl-4-(4-methylphenyl)pent-3-en-2-yl]benzene
CID 23652184
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070
1-methyl-4-[(E)-3-methylpent-3-en-2-yl]benzene
CID 166116462

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene (CID 143683561) is 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene is C/C(=C\C(C)C)C(C)(C)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene?
The InChIKey is ARHDABHRYQBTIZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H24/c1-12(2)11-14(4)16(5,6)15-9-7-13(3)8-10-15/h7-12H,1-6H3/b14-11+.
What are the key properties of 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene?
1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene has a molecular weight of 216.37 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2,3,5-trimethylhex-3-en-2-yl]benzene is sourced from PubChem (CID 143683561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).