2-(oxiran-2-yloxy)oxiran-2-ol

C4H6O4 — CID 88661518

IUPAC2-(oxiran-2-yloxy)oxiran-2-ol
SMILESOC1(OC2CO2)CO1
InChIInChI=1S/C4H6O4/c5-4(2-7-4)8-3-1-6-3/h3,5H,1-2H2
InChIKeyTWLUDMZELARFQZ-UHFFFAOYSA-N
MW118.09 g/mol
LogP-0.96
Rot. Bonds2

About 2-(oxiran-2-yloxy)oxiran-2-ol

2-(oxiran-2-yloxy)oxiran-2-ol (PubChem CID 88661518) has the molecular formula C4H6O4 and a molecular weight of 118.09 g/mol. Its IUPAC name is 2-(oxiran-2-yloxy)oxiran-2-ol.

Molecular Properties

Compound Name2-(oxiran-2-yloxy)oxiran-2-ol
PubChem CID88661518
Molecular FormulaC4H6O4
Molecular Weight118.09 g/mol
Exact Mass118.03
IUPAC Name2-(oxiran-2-yloxy)oxiran-2-ol
SMILESOC1(OC2CO2)CO1
InChIInChI=1S/C4H6O4/c5-4(2-7-4)8-3-1-6-3/h3,5H,1-2H2
InChIKeyTWLUDMZELARFQZ-UHFFFAOYSA-N
XLogP-0.96
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

2-methoxyoxiran-2-ol
CID 123437916
2-(2-methylprop-1-enoxy)oxirane
CID 174917299
diethoxy-methyl-(oxiran-2-yloxy)silane
CID 175444356
2,5-dimethoxy-1,4-dioxane
CID 12500492
2,2-bis(oxiran-2-yl)oxirane
CID 88508066
oxiran-2-yl (E)-2-methylbut-2-enoate
CID 151801288
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
(2R,3R,4R,5R)-2-methoxy-3-(trifluoromethyl)oxane-3,4,5-triol
CID 11107194
(1R,4R,7S,8S)-2,5-dioxabicyclo[2.2.2]octane-1,4,7,8-tetrol
CID 131004421
1-[(2R)-oxiran-2-yl]cyclopropan-1-ol
CID 102424784
(3R,4S,6R)-6-hydroperoxyoxane-3,4-diol
CID 134233154
2-(2,2-dimethylpropoxy)oxirane
CID 129074404

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yloxy)oxiran-2-ol?
The IUPAC name of 2-(oxiran-2-yloxy)oxiran-2-ol (CID 88661518) is 2-(oxiran-2-yloxy)oxiran-2-ol.
What is the SMILES notation for 2-(oxiran-2-yloxy)oxiran-2-ol?
The canonical SMILES for 2-(oxiran-2-yloxy)oxiran-2-ol is OC1(OC2CO2)CO1.
What is the InChIKey of 2-(oxiran-2-yloxy)oxiran-2-ol?
The InChIKey is TWLUDMZELARFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4/c5-4(2-7-4)8-3-1-6-3/h3,5H,1-2H2.
What are the key properties of 2-(oxiran-2-yloxy)oxiran-2-ol?
2-(oxiran-2-yloxy)oxiran-2-ol has a molecular weight of 118.09 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yloxy)oxiran-2-ol is sourced from PubChem (CID 88661518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).