2-methoxyoxiran-2-ol

C3H6O3 — CID 123437916

IUPAC2-methoxyoxiran-2-ol
SMILESCOC1(O)CO1
InChIInChI=1S/C3H6O3/c1-5-3(4)2-6-3/h4H,2H2,1H3
InChIKeyRWFQLLQUMDMRJQ-UHFFFAOYSA-N
MW90.08 g/mol
LogP-0.69
Rot. Bonds1

About 2-methoxyoxiran-2-ol

2-methoxyoxiran-2-ol (PubChem CID 123437916) has the molecular formula C3H6O3 and a molecular weight of 90.08 g/mol. Its IUPAC name is 2-methoxyoxiran-2-ol.

Molecular Properties

Compound Name2-methoxyoxiran-2-ol
PubChem CID123437916
Molecular FormulaC3H6O3
Molecular Weight90.08 g/mol
Exact Mass90.03
IUPAC Name2-methoxyoxiran-2-ol
SMILESCOC1(O)CO1
InChIInChI=1S/C3H6O3/c1-5-3(4)2-6-3/h4H,2H2,1H3
InChIKeyRWFQLLQUMDMRJQ-UHFFFAOYSA-N
XLogP-0.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.08
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-methoxyoxiran-2-ol?
The IUPAC name of 2-methoxyoxiran-2-ol (CID 123437916) is 2-methoxyoxiran-2-ol.
What is the SMILES notation for 2-methoxyoxiran-2-ol?
The canonical SMILES for 2-methoxyoxiran-2-ol is COC1(O)CO1.
What is the InChIKey of 2-methoxyoxiran-2-ol?
The InChIKey is RWFQLLQUMDMRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3/c1-5-3(4)2-6-3/h4H,2H2,1H3.
What are the key properties of 2-methoxyoxiran-2-ol?
2-methoxyoxiran-2-ol has a molecular weight of 90.08 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyoxiran-2-ol is sourced from PubChem (CID 123437916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).