2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene

C15H22 — CID 144520544

IUPAC2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene
SMILESC/C=C(\CC)Cc1ccc(C)c(CC)c1
InChIInChI=1S/C15H22/c1-5-13(6-2)10-14-9-8-12(4)15(7-3)11-14/h5,8-9,11H,6-7,10H2,1-4H3/b13-5+
InChIKeyFDQJSCIDZNEYGN-WLRTZDKTSA-N
MW202.34 g/mol
LogP4.46
Rot. Bonds4

About 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene

2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene (PubChem CID 144520544) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene.

Molecular Properties

Compound Name2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene
PubChem CID144520544
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene
SMILESC/C=C(\CC)Cc1ccc(C)c(CC)c1
InChIInChI=1S/C15H22/c1-5-13(6-2)10-14-9-8-12(4)15(7-3)11-14/h5,8-9,11H,6-7,10H2,1-4H3/b13-5+
InChIKeyFDQJSCIDZNEYGN-WLRTZDKTSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene 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

2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
(Z)-4-(3-ethyl-4-methylphenyl)but-2-ene-1,3-diamine
CID 146290680
butan-2-one;2-ethyl-4-(fluoromethyl)-1-methylbenzene
CID 143248151
2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene
CID 144526244
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
CID 84674441
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene
CID 142803791
2-(2-methyl-5-propylphenyl)acetyl chloride
CID 59115312
N-but-1-en-2-yl-3-ethyl-4-methylaniline
CID 155049153

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene?
The IUPAC name of 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene (CID 144520544) is 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene.
What is the SMILES notation for 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene?
The canonical SMILES for 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene is C/C=C(\CC)Cc1ccc(C)c(CC)c1.
What is the InChIKey of 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene?
The InChIKey is FDQJSCIDZNEYGN-WLRTZDKTSA-N. The full InChI is InChI=1S/C15H22/c1-5-13(6-2)10-14-9-8-12(4)15(7-3)11-14/h5,8-9,11H,6-7,10H2,1-4H3/b13-5+.
What are the key properties of 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene?
2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene has a molecular weight of 202.34 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(E)-2-ethylbut-2-enyl]-1-methylbenzene is sourced from PubChem (CID 144520544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).