6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene

C12H16 — CID 163431710

IUPAC6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene
SMILESC=CC12C(C)=CCCC1=CC2C
InChIInChI=1S/C12H16/c1-4-12-9(2)6-5-7-11(12)8-10(12)3/h4,6,8,10H,1,5,7H2,2-3H3
InChIKeyARAWJEMGFRINKS-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.47
Rot. Bonds1

About 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene

6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene (PubChem CID 163431710) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene.

Molecular Properties

Compound Name6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene
PubChem CID163431710
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene
SMILESC=CC12C(C)=CCCC1=CC2C
InChIInChI=1S/C12H16/c1-4-12-9(2)6-5-7-11(12)8-10(12)3/h4,6,8,10H,1,5,7H2,2-3H3
InChIKeyARAWJEMGFRINKS-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene 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 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene?
The IUPAC name of 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene (CID 163431710) is 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene.
What is the SMILES notation for 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene?
The canonical SMILES for 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene is C=CC12C(C)=CCCC1=CC2C.
What is the InChIKey of 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene?
The InChIKey is ARAWJEMGFRINKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-4-12-9(2)6-5-7-11(12)8-10(12)3/h4,6,8,10H,1,5,7H2,2-3H3.
What are the key properties of 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene?
6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene has a molecular weight of 160.26 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5,7-dimethylbicyclo[4.2.0]octa-1(8),4-diene is sourced from PubChem (CID 163431710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).