2-(propoxymethoxy)ethanol

C6H14O3 — CID 46912115

IUPAC2-(propoxymethoxy)ethanol
SMILESCCCOCOCCO
InChIInChI=1S/C6H14O3/c1-2-4-8-6-9-5-3-7/h7H,2-6H2,1H3
InChIKeyBINWIKHYTSIKOV-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.38
Rot. Bonds6

About 2-(propoxymethoxy)ethanol

2-(propoxymethoxy)ethanol (PubChem CID 46912115) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-(propoxymethoxy)ethanol.

Molecular Properties

Compound Name2-(propoxymethoxy)ethanol
PubChem CID46912115
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Name2-(propoxymethoxy)ethanol
SMILESCCCOCOCCO
InChIInChI=1S/C6H14O3/c1-2-4-8-6-9-5-3-7/h7H,2-6H2,1H3
InChIKeyBINWIKHYTSIKOV-UHFFFAOYSA-N
XLogP0.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(propoxymethoxy)ethanol 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-(propoxymethoxy)ethanol?
The IUPAC name of 2-(propoxymethoxy)ethanol (CID 46912115) is 2-(propoxymethoxy)ethanol.
What is the SMILES notation for 2-(propoxymethoxy)ethanol?
The canonical SMILES for 2-(propoxymethoxy)ethanol is CCCOCOCCO.
What is the InChIKey of 2-(propoxymethoxy)ethanol?
The InChIKey is BINWIKHYTSIKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3/c1-2-4-8-6-9-5-3-7/h7H,2-6H2,1H3.
What are the key properties of 2-(propoxymethoxy)ethanol?
2-(propoxymethoxy)ethanol has a molecular weight of 134.18 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propoxymethoxy)ethanol is sourced from PubChem (CID 46912115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).