3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

C8H12O2 — CID 7833

IUPAC3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C1CO1
InChIInChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2
InChIKeyOECTYKWYRCHAKR-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.95
Rot. Bonds1

About 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 7833) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
PubChem CID7833
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1C1CO1
InChIInChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2
InChIKeyOECTYKWYRCHAKR-UHFFFAOYSA-N
XLogP0.95
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane (CID 7833) is 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1C1CO1.
What is the InChIKey of 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is OECTYKWYRCHAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2.
What are the key properties of 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane?
3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 140.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 7833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).