9-oxabicyclo[6.1.0]non-3-ene

C8H12O — CID 548984

IUPAC9-oxabicyclo[6.1.0]non-3-ene
SMILESC1=CCC2OC2CCC1
InChIInChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1,3,7-8H,2,4-6H2
InChIKeyAFEFVFHJNBISPS-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.88
Rot. Bonds

About 9-oxabicyclo[6.1.0]non-3-ene

9-oxabicyclo[6.1.0]non-3-ene (PubChem CID 548984) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 9-oxabicyclo[6.1.0]non-3-ene.

Molecular Properties

Compound Name9-oxabicyclo[6.1.0]non-3-ene
PubChem CID548984
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name9-oxabicyclo[6.1.0]non-3-ene
SMILESC1=CCC2OC2CCC1
InChIInChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1,3,7-8H,2,4-6H2
InChIKeyAFEFVFHJNBISPS-UHFFFAOYSA-N
XLogP1.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-oxabicyclo[6.1.0]non-3-ene?
The IUPAC name of 9-oxabicyclo[6.1.0]non-3-ene (CID 548984) is 9-oxabicyclo[6.1.0]non-3-ene.
What is the SMILES notation for 9-oxabicyclo[6.1.0]non-3-ene?
The canonical SMILES for 9-oxabicyclo[6.1.0]non-3-ene is C1=CCC2OC2CCC1.
What is the InChIKey of 9-oxabicyclo[6.1.0]non-3-ene?
The InChIKey is AFEFVFHJNBISPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-4-6-8-7(9-8)5-3-1/h1,3,7-8H,2,4-6H2.
What are the key properties of 9-oxabicyclo[6.1.0]non-3-ene?
9-oxabicyclo[6.1.0]non-3-ene has a molecular weight of 124.18 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxabicyclo[6.1.0]non-3-ene is sourced from PubChem (CID 548984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).