2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane

C10H20O5 — CID 22561281

IUPAC2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.OCCOCCO
InChIInChI=1S/C6H10O2.C4H10O3/c1-2-3-7-4-6-5-8-6;5-1-3-7-4-2-6/h2,6H,1,3-5H2;5-6H,1-4H2
InChIKeyPQDGPNNUNHZRAT-UHFFFAOYSA-N
MW220.26 g/mol
LogP-0.42
Rot. Bonds8

About 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane

2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane (PubChem CID 22561281) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane
PubChem CID22561281
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane
SMILESC=CCOCC1CO1.OCCOCCO
InChIInChI=1S/C6H10O2.C4H10O3/c1-2-3-7-4-6-5-8-6;5-1-3-7-4-2-6/h2,6H,1,3-5H2;5-6H,1-4H2
InChIKeyPQDGPNNUNHZRAT-UHFFFAOYSA-N
XLogP-0.42
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane 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-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane (CID 22561281) is 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane is C=CCOCC1CO1.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane?
The InChIKey is PQDGPNNUNHZRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H10O3/c1-2-3-7-4-6-5-8-6;5-1-3-7-4-2-6/h2,6H,1,3-5H2;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane?
2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane has a molecular weight of 220.26 g/mol, XLogP of -0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;2-(prop-2-enoxymethyl)oxirane is sourced from PubChem (CID 22561281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).