4-but-3-enyl-1,2-dimethylbenzene

C12H16 — CID 24721981

IUPAC4-but-3-enyl-1,2-dimethylbenzene
SMILESC=CCCc1ccc(C)c(C)c1
InChIInChI=1S/C12H16/c1-4-5-6-12-8-7-10(2)11(3)9-12/h4,7-9H,1,5-6H2,2-3H3
InChIKeyDRMFMZUPXVPDOO-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.42
Rot. Bonds3

About 4-but-3-enyl-1,2-dimethylbenzene

4-but-3-enyl-1,2-dimethylbenzene (PubChem CID 24721981) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 4-but-3-enyl-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-but-3-enyl-1,2-dimethylbenzene
PubChem CID24721981
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name4-but-3-enyl-1,2-dimethylbenzene
SMILESC=CCCc1ccc(C)c(C)c1
InChIInChI=1S/C12H16/c1-4-5-6-12-8-7-10(2)11(3)9-12/h4,7-9H,1,5-6H2,2-3H3
InChIKeyDRMFMZUPXVPDOO-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-but-3-enyl-1,2-dimethylbenzene 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-bromo-4-but-3-enyl-2-methoxybenzene
CID 175669569
4-but-3-enyl-1-ethyl-2-methylbenzene;3,3-dimethylhexane;ethane
CID 170590592
1-(3,4-dimethylphenyl)hept-6-en-2-ylhydrazine
CID 105215088
1,4-bis[(E)-2-(4-but-3-enylphenyl)ethenyl]benzene
CID 19780599
3-but-3-enyl-4-methylphenol
CID 59165328
1,2-dimethyl-4-octylbenzene
CID 14044616
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
2-but-3-enyl-7-pent-4-enylphenanthrene
CID 139836962
1-methyl-4-(2-methylidenebutyl)-2-pent-4-enylbenzene
CID 142803791
2-(3,4-dimethylphenyl)ethyl-trimethoxysilane
CID 59566689
1-but-3-enyl-4-hexylbenzene
CID 91077567
4-[3-(3,4-dimethylphenyl)propyl]-2-methylphenol
CID 162497681

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-1,2-dimethylbenzene?
The IUPAC name of 4-but-3-enyl-1,2-dimethylbenzene (CID 24721981) is 4-but-3-enyl-1,2-dimethylbenzene.
What is the SMILES notation for 4-but-3-enyl-1,2-dimethylbenzene?
The canonical SMILES for 4-but-3-enyl-1,2-dimethylbenzene is C=CCCc1ccc(C)c(C)c1.
What is the InChIKey of 4-but-3-enyl-1,2-dimethylbenzene?
The InChIKey is DRMFMZUPXVPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-4-5-6-12-8-7-10(2)11(3)9-12/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 4-but-3-enyl-1,2-dimethylbenzene?
4-but-3-enyl-1,2-dimethylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1,2-dimethylbenzene is sourced from PubChem (CID 24721981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).