2-[2-(oxiran-2-yl)ethoxy]ethanol

C6H12O3 — CID 20723947

IUPAC2-[2-(oxiran-2-yl)ethoxy]ethanol
SMILESOCCOCCC1CO1
InChIInChI=1S/C6H12O3/c7-2-4-8-3-1-6-5-9-6/h6-7H,1-5H2
InChIKeyXFYRKKHWBJVTEH-UHFFFAOYSA-N
MW132.16 g/mol
LogP-0.22
Rot. Bonds5

About 2-[2-(oxiran-2-yl)ethoxy]ethanol

2-[2-(oxiran-2-yl)ethoxy]ethanol (PubChem CID 20723947) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-[2-(oxiran-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(oxiran-2-yl)ethoxy]ethanol
PubChem CID20723947
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-[2-(oxiran-2-yl)ethoxy]ethanol
SMILESOCCOCCC1CO1
InChIInChI=1S/C6H12O3/c7-2-4-8-3-1-6-5-9-6/h6-7H,1-5H2
InChIKeyXFYRKKHWBJVTEH-UHFFFAOYSA-N
XLogP-0.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-(oxiran-2-yl)ethoxy]butoxy]ethyl]oxirane
CID 177262160
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154070356
ethanol;2-(2-hydroxyethoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 135339306
2-[2-(cyclopropylmethoxy)ethyl]oxirane
CID 126983130
2-[2-(1,3-dioxol-2-yl)ethoxy]ethanol
CID 154344127
2-(2-hydroxyethylperoxy)ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174579624
2-[4-[2-[2-[4-(oxiran-2-yl)butoxy]ethoxy]ethoxy]butyl]oxirane
CID 177262218
3-methyl-1-[2-(oxiran-2-yl)ethoxy]butan-2-ol
CID 157311653
methane;methanediol;bis(2-(oxiran-2-yl)ethanol);bis(yttrium)
CID 159329704
5-hydroxy-4-[2-(2-hydroxyethoxy)ethoxy]-1-(oxiran-2-yl)pentane-2,3-dione
CID 19986963
2-[2-(2-phenylethoxy)ethyl]oxirane
CID 22768284
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxiran-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(oxiran-2-yl)ethoxy]ethanol (CID 20723947) is 2-[2-(oxiran-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(oxiran-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(oxiran-2-yl)ethoxy]ethanol is OCCOCCC1CO1.
What is the InChIKey of 2-[2-(oxiran-2-yl)ethoxy]ethanol?
The InChIKey is XFYRKKHWBJVTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c7-2-4-8-3-1-6-5-9-6/h6-7H,1-5H2.
What are the key properties of 2-[2-(oxiran-2-yl)ethoxy]ethanol?
2-[2-(oxiran-2-yl)ethoxy]ethanol has a molecular weight of 132.16 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-yl)ethoxy]ethanol is sourced from PubChem (CID 20723947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).