1,4-dimethyl-2-(2-methylbut-3-enyl)benzene

C13H18 — CID 83928161

IUPAC1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(C)ccc1C
InChIInChI=1S/C13H18/c1-5-10(2)8-13-9-11(3)6-7-12(13)4/h5-7,9-10H,1,8H2,2-4H3
InChIKeyLELYSDHJSBRPKR-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.67
Rot. Bonds3

About 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene

1,4-dimethyl-2-(2-methylbut-3-enyl)benzene (PubChem CID 83928161) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
PubChem CID83928161
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,4-dimethyl-2-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(C)ccc1C
InChIInChI=1S/C13H18/c1-5-10(2)8-13-9-11(3)6-7-12(13)4/h5-7,9-10H,1,8H2,2-4H3
InChIKeyLELYSDHJSBRPKR-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
1-ethyl-2-(2-methylbut-3-enyl)benzene
CID 18956737
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
2-(3-bromo-2-methylpentyl)-1,4-dimethylbenzene
CID 63559949
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
2-bromo-1-(2,5-dimethylphenyl)-4-methylpentan-3-one
CID 62394273
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(2,5-dimethylphenyl)-6-methylheptan-2-ol
CID 115830018
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
1-(2,5-dimethylphenyl)-N-methylnon-8-en-2-amine
CID 107011687

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene?
The IUPAC name of 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene (CID 83928161) is 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene?
The canonical SMILES for 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene is C=CC(C)Cc1cc(C)ccc1C.
What is the InChIKey of 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene?
The InChIKey is LELYSDHJSBRPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-5-10(2)8-13-9-11(3)6-7-12(13)4/h5-7,9-10H,1,8H2,2-4H3.
What are the key properties of 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene?
1,4-dimethyl-2-(2-methylbut-3-enyl)benzene has a molecular weight of 174.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylbut-3-enyl)benzene is sourced from PubChem (CID 83928161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).