1,2-dimethoxyethane

C4H10O2 — CID 8071

IUPAC1,2-dimethoxyethane
SMILESCOCCOC
InChIInChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
InChIKeyXTHFKEDIFFGKHM-UHFFFAOYSA-N
MW90.12 g/mol
LogP0.28
Rot. Bonds3

About 1,2-dimethoxyethane

1,2-dimethoxyethane (PubChem CID 8071) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is 1,2-dimethoxyethane.

Molecular Properties

Compound Name1,2-dimethoxyethane
PubChem CID8071
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name1,2-dimethoxyethane
SMILESCOCCOC
InChIInChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3
InChIKeyXTHFKEDIFFGKHM-UHFFFAOYSA-N
XLogP0.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,2-dimethoxyethane 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 1,2-dimethoxyethane?
The IUPAC name of 1,2-dimethoxyethane (CID 8071) is 1,2-dimethoxyethane.
What is the SMILES notation for 1,2-dimethoxyethane?
The canonical SMILES for 1,2-dimethoxyethane is COCCOC.
What is the InChIKey of 1,2-dimethoxyethane?
The InChIKey is XTHFKEDIFFGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxyethane?
1,2-dimethoxyethane has a molecular weight of 90.12 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane is sourced from PubChem (CID 8071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).