2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol

C8H16O6 — CID 141266642

IUPAC2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol
SMILESCCOC1(O)OC1OCCOCCO
InChIInChI=1S/C8H16O6/c1-2-13-8(10)7(14-8)12-6-5-11-4-3-9/h7,9-10H,2-6H2,1H3
InChIKeyKNOLLSFDJBEYBO-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.95
Rot. Bonds8

About 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol

2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol (PubChem CID 141266642) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol.

Molecular Properties

Compound Name2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol
PubChem CID141266642
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol
SMILESCCOC1(O)OC1OCCOCCO
InChIInChI=1S/C8H16O6/c1-2-13-8(10)7(14-8)12-6-5-11-4-3-9/h7,9-10H,2-6H2,1H3
InChIKeyKNOLLSFDJBEYBO-UHFFFAOYSA-N
XLogP-0.95
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2-hydroxyethoxy)ethoxy]-2-prop-2-enyloxiran-2-ol
CID 141343589
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
2-(2-cyclopropyloxyethoxy)ethanol
CID 57000594
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
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
2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
ethoxyethane;2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methoxymethane
CID 18993831
calcium;2-(2-ethoxyethoxy)ethanol;hydride
CID 174899431
2-butyl-3-(2-ethoxyethoxy)oxiran-2-ol
CID 139941566
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol?
The IUPAC name of 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol (CID 141266642) is 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol.
What is the SMILES notation for 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol?
The canonical SMILES for 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol is CCOC1(O)OC1OCCOCCO.
What is the InChIKey of 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol?
The InChIKey is KNOLLSFDJBEYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6/c1-2-13-8(10)7(14-8)12-6-5-11-4-3-9/h7,9-10H,2-6H2,1H3.
What are the key properties of 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol?
2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol has a molecular weight of 208.21 g/mol, XLogP of -0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[2-(2-hydroxyethoxy)ethoxy]oxiran-2-ol is sourced from PubChem (CID 141266642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).