2-ethenyloxirane-2,3-diol

C4H6O3 — CID 141086691

IUPAC2-ethenyloxirane-2,3-diol
SMILESC=CC1(O)OC1O
InChIInChI=1S/C4H6O3/c1-2-4(6)3(5)7-4/h2-3,5-6H,1H2
InChIKeyMOXJWTXMFZNWKU-UHFFFAOYSA-N
MW102.09 g/mol
LogP-0.79
Rot. Bonds1

About 2-ethenyloxirane-2,3-diol

2-ethenyloxirane-2,3-diol (PubChem CID 141086691) has the molecular formula C4H6O3 and a molecular weight of 102.09 g/mol. Its IUPAC name is 2-ethenyloxirane-2,3-diol.

Molecular Properties

Compound Name2-ethenyloxirane-2,3-diol
PubChem CID141086691
Molecular FormulaC4H6O3
Molecular Weight102.09 g/mol
Exact Mass102.03
IUPAC Name2-ethenyloxirane-2,3-diol
SMILESC=CC1(O)OC1O
InChIInChI=1S/C4H6O3/c1-2-4(6)3(5)7-4/h2-3,5-6H,1H2
InChIKeyMOXJWTXMFZNWKU-UHFFFAOYSA-N
XLogP-0.79
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-ethenyloxirane-2,3-diol?
The IUPAC name of 2-ethenyloxirane-2,3-diol (CID 141086691) is 2-ethenyloxirane-2,3-diol.
What is the SMILES notation for 2-ethenyloxirane-2,3-diol?
The canonical SMILES for 2-ethenyloxirane-2,3-diol is C=CC1(O)OC1O.
What is the InChIKey of 2-ethenyloxirane-2,3-diol?
The InChIKey is MOXJWTXMFZNWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O3/c1-2-4(6)3(5)7-4/h2-3,5-6H,1H2.
What are the key properties of 2-ethenyloxirane-2,3-diol?
2-ethenyloxirane-2,3-diol has a molecular weight of 102.09 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxirane-2,3-diol is sourced from PubChem (CID 141086691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).