3-(oxiran-2-ylmethoxy)oxiran-2-ol

C5H8O4 — CID 141311016

IUPAC3-(oxiran-2-ylmethoxy)oxiran-2-ol
SMILESOC1OC1OCC1CO1
InChIInChI=1S/C5H8O4/c6-4-5(9-4)8-2-3-1-7-3/h3-6H,1-2H2
InChIKeyQXJMYHBURVBUMV-UHFFFAOYSA-N
MW132.11 g/mol
LogP-0.92
Rot. Bonds3

About 3-(oxiran-2-ylmethoxy)oxiran-2-ol

3-(oxiran-2-ylmethoxy)oxiran-2-ol (PubChem CID 141311016) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxy)oxiran-2-ol.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxy)oxiran-2-ol
PubChem CID141311016
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name3-(oxiran-2-ylmethoxy)oxiran-2-ol
SMILESOC1OC1OCC1CO1
InChIInChI=1S/C5H8O4/c6-4-5(9-4)8-2-3-1-7-3/h3-6H,1-2H2
InChIKeyQXJMYHBURVBUMV-UHFFFAOYSA-N
XLogP-0.92
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
CID 59502485
(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21139666
(6R)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163672850
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
3-(oxiran-2-ylmethoxy)cyclohexan-1-ol
CID 118671193
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-methylbut-2-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87813388
methyl-tris(oxiran-2-ylmethoxy)silane
CID 22460133
2-methyl-3-(oxiran-2-ylmethoxy)oxetane
CID 175220948
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
(2R,3R,4S,5S,6R)-6-[[(4S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 52940241

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxy)oxiran-2-ol?
The IUPAC name of 3-(oxiran-2-ylmethoxy)oxiran-2-ol (CID 141311016) is 3-(oxiran-2-ylmethoxy)oxiran-2-ol.
What is the SMILES notation for 3-(oxiran-2-ylmethoxy)oxiran-2-ol?
The canonical SMILES for 3-(oxiran-2-ylmethoxy)oxiran-2-ol is OC1OC1OCC1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethoxy)oxiran-2-ol?
The InChIKey is QXJMYHBURVBUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4/c6-4-5(9-4)8-2-3-1-7-3/h3-6H,1-2H2.
What are the key properties of 3-(oxiran-2-ylmethoxy)oxiran-2-ol?
3-(oxiran-2-ylmethoxy)oxiran-2-ol has a molecular weight of 132.11 g/mol, XLogP of -0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxy)oxiran-2-ol is sourced from PubChem (CID 141311016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).