1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene

C11H12 — CID 129406214

IUPAC1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
SMILESC=C/C=C\c1cccc(C)c1
InChIInChI=1S/C11H12/c1-3-4-7-11-8-5-6-10(2)9-11/h3-9H,1H2,2H3/b7-4-
InChIKeyIFFZIWFIIZSRQE-DAXSKMNVSA-N
MW144.22 g/mol
LogP3.19
Rot. Bonds2

About 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene

1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene (PubChem CID 129406214) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
PubChem CID129406214
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene
SMILESC=C/C=C\c1cccc(C)c1
InChIInChI=1S/C11H12/c1-3-4-7-11-8-5-6-10(2)9-11/h3-9H,1H2,2H3/b7-4-
InChIKeyIFFZIWFIIZSRQE-DAXSKMNVSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(1Z)-buta-1,3-dienyl]-3-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

1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
1-ethenyl-3-methylbenzene
CID 7529
3-[(1Z)-buta-1,3-dienyl]benzaldehyde
CID 45083985
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
1-[(1E)-buta-1,3-dienyl]-3-propylbenzene
CID 173472577
1-[(E)-but-1-enyl]-3-methylbenzene;ethane;ethenamine
CID 143443436
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
1-ethenyl-3-methylbenzene;sulfur dioxide
CID 157220077
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene?
The IUPAC name of 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene (CID 129406214) is 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene.
What is the SMILES notation for 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene?
The canonical SMILES for 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene is C=C/C=C\c1cccc(C)c1.
What is the InChIKey of 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene?
The InChIKey is IFFZIWFIIZSRQE-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H12/c1-3-4-7-11-8-5-6-10(2)9-11/h3-9H,1H2,2H3/b7-4-.
What are the key properties of 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene?
1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene has a molecular weight of 144.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-buta-1,3-dienyl]-3-methylbenzene is sourced from PubChem (CID 129406214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).