3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane

C7H12O2 — CID 22013148

IUPAC3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
SMILESCOCC1CC2OC2C1
InChIInChI=1S/C7H12O2/c1-8-4-5-2-6-7(3-5)9-6/h5-7H,2-4H2,1H3
InChIKeyFLQKRGRZFHDZRM-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.81
Rot. Bonds2

About 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane

3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane (PubChem CID 22013148) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
PubChem CID22013148
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane
SMILESCOCC1CC2OC2C1
InChIInChI=1S/C7H12O2/c1-8-4-5-2-6-7(3-5)9-6/h5-7H,2-4H2,1H3
InChIKeyFLQKRGRZFHDZRM-UHFFFAOYSA-N
XLogP0.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane?
The IUPAC name of 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane (CID 22013148) is 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane is COCC1CC2OC2C1.
What is the InChIKey of 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane?
The InChIKey is FLQKRGRZFHDZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-8-4-5-2-6-7(3-5)9-6/h5-7H,2-4H2,1H3.
What are the key properties of 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane?
3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane has a molecular weight of 128.17 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-6-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 22013148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).