1,3-dichloro-2-(methoxymethoxy)propane

C5H10Cl2O2 — CID 5323878

IUPAC1,3-dichloro-2-(methoxymethoxy)propane
SMILESCOCOC(CCl)CCl
InChIInChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3
InChIKeyGEGJQMIXBNYSQG-UHFFFAOYSA-N
MW173.04 g/mol
LogP1.45
Rot. Bonds5

About 1,3-dichloro-2-(methoxymethoxy)propane

1,3-dichloro-2-(methoxymethoxy)propane (PubChem CID 5323878) has the molecular formula C5H10Cl2O2 and a molecular weight of 173.04 g/mol. Its IUPAC name is 1,3-dichloro-2-(methoxymethoxy)propane.

Molecular Properties

Compound Name1,3-dichloro-2-(methoxymethoxy)propane
PubChem CID5323878
Molecular FormulaC5H10Cl2O2
Molecular Weight173.04 g/mol
Exact Mass172.01
IUPAC Name1,3-dichloro-2-(methoxymethoxy)propane
SMILESCOCOC(CCl)CCl
InChIInChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3
InChIKeyGEGJQMIXBNYSQG-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.04
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-2-(methoxymethoxy)propane 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 1,3-dichloro-2-(methoxymethoxy)propane?
The IUPAC name of 1,3-dichloro-2-(methoxymethoxy)propane (CID 5323878) is 1,3-dichloro-2-(methoxymethoxy)propane.
What is the SMILES notation for 1,3-dichloro-2-(methoxymethoxy)propane?
The canonical SMILES for 1,3-dichloro-2-(methoxymethoxy)propane is COCOC(CCl)CCl.
What is the InChIKey of 1,3-dichloro-2-(methoxymethoxy)propane?
The InChIKey is GEGJQMIXBNYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10Cl2O2/c1-8-4-9-5(2-6)3-7/h5H,2-4H2,1H3.
What are the key properties of 1,3-dichloro-2-(methoxymethoxy)propane?
1,3-dichloro-2-(methoxymethoxy)propane has a molecular weight of 173.04 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(methoxymethoxy)propane is sourced from PubChem (CID 5323878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).