bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene

C11H12 — CID 174841145

IUPACbicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
SMILESC1=Cc2ccccc21.C=CC
InChIInChI=1S/C8H6.C3H6/c1-2-4-8-6-5-7(8)3-1;1-3-2/h1-6H;3H,1H2,2H3
InChIKeyPBIGUXDGLSFFHF-UHFFFAOYSA-N
MW144.22 g/mol
LogP3.36
Rot. Bonds

About bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene

bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene (PubChem CID 174841145) has the molecular formula C11H12 and a molecular weight of 144.22 g/mol. Its IUPAC name is bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene.

Molecular Properties

Compound Namebicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
PubChem CID174841145
Molecular FormulaC11H12
Molecular Weight144.22 g/mol
Exact Mass144.09
IUPAC Namebicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
SMILESC1=Cc2ccccc21.C=CC
InChIInChI=1S/C8H6.C3H6/c1-2-4-8-6-5-7(8)3-1;1-3-2/h1-6H;3H,1H2,2H3
InChIKeyPBIGUXDGLSFFHF-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene?
The IUPAC name of bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene (CID 174841145) is bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene.
What is the SMILES notation for bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene?
The canonical SMILES for bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene is C1=Cc2ccccc21.C=CC.
What is the InChIKey of bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene?
The InChIKey is PBIGUXDGLSFFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6.C3H6/c1-2-4-8-6-5-7(8)3-1;1-3-2/h1-6H;3H,1H2,2H3.
What are the key properties of bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene?
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene has a molecular weight of 144.22 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene is sourced from PubChem (CID 174841145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).