1-ethenyl-4-(2-methylbut-2-enyl)benzene

C13H16 — CID 139941573

IUPAC1-ethenyl-4-(2-methylbut-2-enyl)benzene
SMILESC=Cc1ccc(CC(C)=CC)cc1
InChIInChI=1S/C13H16/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h4-9H,2,10H2,1,3H3
InChIKeyZKZATYAZVBFKQG-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.84
Rot. Bonds3

About 1-ethenyl-4-(2-methylbut-2-enyl)benzene

1-ethenyl-4-(2-methylbut-2-enyl)benzene (PubChem CID 139941573) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethenyl-4-(2-methylbut-2-enyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(2-methylbut-2-enyl)benzene
PubChem CID139941573
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-ethenyl-4-(2-methylbut-2-enyl)benzene
SMILESC=Cc1ccc(CC(C)=CC)cc1
InChIInChI=1S/C13H16/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h4-9H,2,10H2,1,3H3
InChIKeyZKZATYAZVBFKQG-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.84
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-(4-ethenylphenyl)propan-2-one
CID 70398942
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
1-ethenyl-4-(3-methylbut-2-enyl)benzene
CID 13229547
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
(4-ethenylphenyl)methylazanium
CID 86307073
ethane;1-methyl-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-methylbut-2-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene;toluene;bis(1,3-xylene)
CID 143616422
1-[(4-ethenylphenyl)methylperoxy]propan-2-ol
CID 141437530
tert-butyl(dimethyl)silane;(4-ethenylphenyl)methanol
CID 175113696
(4-ethenylphenyl) acetate;(4-ethenylphenyl)methyl acetate
CID 158634660

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-methylbut-2-enyl)benzene?
The IUPAC name of 1-ethenyl-4-(2-methylbut-2-enyl)benzene (CID 139941573) is 1-ethenyl-4-(2-methylbut-2-enyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(2-methylbut-2-enyl)benzene?
The canonical SMILES for 1-ethenyl-4-(2-methylbut-2-enyl)benzene is C=Cc1ccc(CC(C)=CC)cc1.
What is the InChIKey of 1-ethenyl-4-(2-methylbut-2-enyl)benzene?
The InChIKey is ZKZATYAZVBFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-4-11(3)10-13-8-6-12(5-2)7-9-13/h4-9H,2,10H2,1,3H3.
What are the key properties of 1-ethenyl-4-(2-methylbut-2-enyl)benzene?
1-ethenyl-4-(2-methylbut-2-enyl)benzene has a molecular weight of 172.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-methylbut-2-enyl)benzene is sourced from PubChem (CID 139941573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).