7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene

C11H12 — CID 2753008

IUPAC7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
SMILESC=CC1(C)Cc2ccccc21
InChIInChI=1S/C11H12/c1-3-11(2)8-9-6-4-5-7-10(9)11/h3-7H,1,8H2,2H3
InChIKeyGDZATTDLLHPFOS-UHFFFAOYSA-N
MW144.22 g/mol
LogP2.69
Rot. Bonds1

About 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene

7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 2753008) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
PubChem CID2753008
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Name7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene
SMILESC=CC1(C)Cc2ccccc21
InChIInChI=1S/C11H12/c1-3-11(2)8-9-6-4-5-7-10(9)11/h3-7H,1,8H2,2H3
InChIKeyGDZATTDLLHPFOS-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene (CID 2753008) is 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene is C=CC1(C)Cc2ccccc21.
What is the InChIKey of 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is GDZATTDLLHPFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12/c1-3-11(2)8-9-6-4-5-7-10(9)11/h3-7H,1,8H2,2H3.
What are the key properties of 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene?
7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 144.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-7-methylbicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 2753008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).