3-oxabicyclo[3.2.0]hept-1(7)-ene

C6H8O — CID 149371024

IUPAC3-oxabicyclo[3.2.0]hept-1(7)-ene
SMILESC1=C2COCC2C1
InChIInChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h1,6H,2-4H2
InChIKeyYJUNISVMNVGAHQ-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.96
Rot. Bonds

About 3-oxabicyclo[3.2.0]hept-1(7)-ene

3-oxabicyclo[3.2.0]hept-1(7)-ene (PubChem CID 149371024) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-oxabicyclo[3.2.0]hept-1(7)-ene.

Molecular Properties

Compound Name3-oxabicyclo[3.2.0]hept-1(7)-ene
PubChem CID149371024
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name3-oxabicyclo[3.2.0]hept-1(7)-ene
SMILESC1=C2COCC2C1
InChIInChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h1,6H,2-4H2
InChIKeyYJUNISVMNVGAHQ-UHFFFAOYSA-N
XLogP0.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-oxabicyclo[3.2.0]hept-1(7)-ene?
The IUPAC name of 3-oxabicyclo[3.2.0]hept-1(7)-ene (CID 149371024) is 3-oxabicyclo[3.2.0]hept-1(7)-ene.
What is the SMILES notation for 3-oxabicyclo[3.2.0]hept-1(7)-ene?
The canonical SMILES for 3-oxabicyclo[3.2.0]hept-1(7)-ene is C1=C2COCC2C1.
What is the InChIKey of 3-oxabicyclo[3.2.0]hept-1(7)-ene?
The InChIKey is YJUNISVMNVGAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-2-6-4-7-3-5(1)6/h1,6H,2-4H2.
What are the key properties of 3-oxabicyclo[3.2.0]hept-1(7)-ene?
3-oxabicyclo[3.2.0]hept-1(7)-ene has a molecular weight of 96.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxabicyclo[3.2.0]hept-1(7)-ene is sourced from PubChem (CID 149371024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).