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

C10H16O3 — CID 13209911

IUPAC3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1COCC1CO1
InChIInChI=1S/C10H16O3/c1-2-9-10(13-9)3-7(1)4-11-5-8-6-12-8/h7-10H,1-6H2
InChIKeyBOICCJPODWMTEY-UHFFFAOYSA-N
MW184.23 g/mol
LogP0.97
Rot. Bonds4

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

3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 13209911) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
PubChem CID13209911
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
SMILESC1CC2OC2CC1COCC1CO1
InChIInChI=1S/C10H16O3/c1-2-9-10(13-9)3-7(1)4-11-5-8-6-12-8/h7-10H,1-6H2
InChIKeyBOICCJPODWMTEY-UHFFFAOYSA-N
XLogP0.97
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane (CID 13209911) is 3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane is C1CC2OC2CC1COCC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is BOICCJPODWMTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-9-10(13-9)3-7(1)4-11-5-8-6-12-8/h7-10H,1-6H2.
What are the key properties of 3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane?
3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 184.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 13209911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).