3-(dimethoxymethyl)-2-methoxyoxolane

C8H16O4 — CID 11052183

IUPAC3-(dimethoxymethyl)-2-methoxyoxolane
SMILESCOC(OC)C1CCOC1OC
InChIInChI=1S/C8H16O4/c1-9-7(10-2)6-4-5-12-8(6)11-3/h6-8H,4-5H2,1-3H3
InChIKeyRQIUEUDYRRIYQF-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.61
Rot. Bonds4

About 3-(dimethoxymethyl)-2-methoxyoxolane

3-(dimethoxymethyl)-2-methoxyoxolane (PubChem CID 11052183) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-2-methoxyoxolane.

Molecular Properties

Compound Name3-(dimethoxymethyl)-2-methoxyoxolane
PubChem CID11052183
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name3-(dimethoxymethyl)-2-methoxyoxolane
SMILESCOC(OC)C1CCOC1OC
InChIInChI=1S/C8H16O4/c1-9-7(10-2)6-4-5-12-8(6)11-3/h6-8H,4-5H2,1-3H3
InChIKeyRQIUEUDYRRIYQF-UHFFFAOYSA-N
XLogP0.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(dimethoxymethyl)-2-methoxyoxolane 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-(dimethoxymethyl)-2-methoxyoxolane?
The IUPAC name of 3-(dimethoxymethyl)-2-methoxyoxolane (CID 11052183) is 3-(dimethoxymethyl)-2-methoxyoxolane.
What is the SMILES notation for 3-(dimethoxymethyl)-2-methoxyoxolane?
The canonical SMILES for 3-(dimethoxymethyl)-2-methoxyoxolane is COC(OC)C1CCOC1OC.
What is the InChIKey of 3-(dimethoxymethyl)-2-methoxyoxolane?
The InChIKey is RQIUEUDYRRIYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-9-7(10-2)6-4-5-12-8(6)11-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-(dimethoxymethyl)-2-methoxyoxolane?
3-(dimethoxymethyl)-2-methoxyoxolane has a molecular weight of 176.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-2-methoxyoxolane is sourced from PubChem (CID 11052183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).