bicyclo[5.1.0]oct-3-ene

C8H12 — CID 12614

IUPACbicyclo[5.1.0]oct-3-ene
SMILESC1=CCC2CC2CC1
InChIInChI=1S/C8H12/c1-2-4-7-6-8(7)5-3-1/h1-2,7-8H,3-6H2
InChIKeyAOEUXGZARHPSOK-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About bicyclo[5.1.0]oct-3-ene

bicyclo[5.1.0]oct-3-ene (PubChem CID 12614) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is bicyclo[5.1.0]oct-3-ene.

Molecular Properties

Compound Namebicyclo[5.1.0]oct-3-ene
PubChem CID12614
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Namebicyclo[5.1.0]oct-3-ene
SMILESC1=CCC2CC2CC1
InChIInChI=1S/C8H12/c1-2-4-7-6-8(7)5-3-1/h1-2,7-8H,3-6H2
InChIKeyAOEUXGZARHPSOK-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.36
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[5.1.0]oct-3-ene?
The IUPAC name of bicyclo[5.1.0]oct-3-ene (CID 12614) is bicyclo[5.1.0]oct-3-ene.
What is the SMILES notation for bicyclo[5.1.0]oct-3-ene?
The canonical SMILES for bicyclo[5.1.0]oct-3-ene is C1=CCC2CC2CC1.
What is the InChIKey of bicyclo[5.1.0]oct-3-ene?
The InChIKey is AOEUXGZARHPSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-2-4-7-6-8(7)5-3-1/h1-2,7-8H,3-6H2.
What are the key properties of bicyclo[5.1.0]oct-3-ene?
bicyclo[5.1.0]oct-3-ene has a molecular weight of 108.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[5.1.0]oct-3-ene is sourced from PubChem (CID 12614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).