2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane

C12H16O6 — CID 59078174

IUPAC2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane
SMILESC(OCC1(C2OCC3OC32)OCC2OC21)C1CO1
InChIInChI=1S/C12H16O6/c1(6-2-14-6)13-5-12(10-8(18-10)4-16-12)11-9-7(17-9)3-15-11/h6-11H,1-5H2
InChIKeyWCRJXWQLNNDWEC-UHFFFAOYSA-N
MW256.25 g/mol
LogP-0.90
Rot. Bonds5

About 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane

2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane (PubChem CID 59078174) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane
PubChem CID59078174
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Name2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane
SMILESC(OCC1(C2OCC3OC32)OCC2OC21)C1CO1
InChIInChI=1S/C12H16O6/c1(6-2-14-6)13-5-12(10-8(18-10)4-16-12)11-9-7(17-9)3-15-11/h6-11H,1-5H2
InChIKeyWCRJXWQLNNDWEC-UHFFFAOYSA-N
XLogP-0.90
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[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 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane?
The IUPAC name of 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane (CID 59078174) is 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane?
The canonical SMILES for 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane is C(OCC1(C2OCC3OC32)OCC2OC21)C1CO1.
What is the InChIKey of 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane?
The InChIKey is WCRJXWQLNNDWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O6/c1(6-2-14-6)13-5-12(10-8(18-10)4-16-12)11-9-7(17-9)3-15-11/h6-11H,1-5H2.
What are the key properties of 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane?
2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane has a molecular weight of 256.25 g/mol, XLogP of -0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxabicyclo[3.1.0]hexan-2-yl)-2-(oxiran-2-ylmethoxymethyl)-3,6-dioxabicyclo[3.1.0]hexane is sourced from PubChem (CID 59078174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).