Bicyclo[2.2.0]hexa-1,3,5-triene;ethene

C8H8 — CID 21852571

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;ethene
SMILESC=C.C1=CC2=CC=C21
InChIInChI=1S/C6H4.C2H4/c1-2-6-4-3-5(1)6;1-2/h1-4H;1-2H2
InChIKeyROVFXALCBPNZBA-UHFFFAOYSA-N
MW104.15 g/mol
LogP—
Rot. Bonds

About Bicyclo[2.2.0]hexa-1,3,5-triene;ethene

Bicyclo[2.2.0]hexa-1,3,5-triene;ethene (PubChem CID 21852571) has the molecular formula C8H8 and a molecular weight of 104.15 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;ethene.

Molecular Properties

Compound NameBicyclo[2.2.0]hexa-1,3,5-triene;ethene
PubChem CID21852571
Molecular FormulaC8H8
Molecular Weight104.15 g/mol
Exact Mass104.06
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;ethene
SMILESC=C.C1=CC2=CC=C21
InChIInChI=1S/C6H4.C2H4/c1-2-6-4-3-5(1)6;1-2/h1-4H;1-2H2
InChIKeyROVFXALCBPNZBA-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity48

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze Bicyclo[2.2.0]hexa-1,3,5-triene;ethene 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 Bicyclo[2.2.0]hexa-1,3,5-triene;ethene?
The IUPAC name of Bicyclo[2.2.0]hexa-1,3,5-triene;ethene (CID 21852571) is bicyclo[2.2.0]hexa-1,3,5-triene;ethene.
What is the SMILES notation for Bicyclo[2.2.0]hexa-1,3,5-triene;ethene?
The canonical SMILES for Bicyclo[2.2.0]hexa-1,3,5-triene;ethene is C=C.C1=CC2=CC=C21.
What is the InChIKey of Bicyclo[2.2.0]hexa-1,3,5-triene;ethene?
The InChIKey is ROVFXALCBPNZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.C2H4/c1-2-6-4-3-5(1)6;1-2/h1-4H;1-2H2.
What are the key properties of Bicyclo[2.2.0]hexa-1,3,5-triene;ethene?
Bicyclo[2.2.0]hexa-1,3,5-triene;ethene has a molecular weight of 104.15 g/mol, XLogP of not available, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for Bicyclo[2.2.0]hexa-1,3,5-triene;ethene is sourced from PubChem (CID 21852571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).