3-ethenyloxiran-2-ol

C4H6O2 — CID 123827977

IUPAC3-ethenyloxiran-2-ol
SMILESC=CC1OC1O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6-3/h2-5H,1H2
InChIKeyRADCXXRQOMZGFM-UHFFFAOYSA-N
MW86.09 g/mol
LogP-0.11
Rot. Bonds1

About 3-ethenyloxiran-2-ol

3-ethenyloxiran-2-ol (PubChem CID 123827977) has the molecular formula C4H6O2 and a molecular weight of 86.09 g/mol. Its IUPAC name is 3-ethenyloxiran-2-ol.

Molecular Properties

Compound Name3-ethenyloxiran-2-ol
PubChem CID123827977
Molecular FormulaC4H6O2
Molecular Weight86.09 g/mol
Exact Mass86.04
IUPAC Name3-ethenyloxiran-2-ol
SMILESC=CC1OC1O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6-3/h2-5H,1H2
InChIKeyRADCXXRQOMZGFM-UHFFFAOYSA-N
XLogP-0.11
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.09
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-ethenyloxiran-2-ol?
The IUPAC name of 3-ethenyloxiran-2-ol (CID 123827977) is 3-ethenyloxiran-2-ol.
What is the SMILES notation for 3-ethenyloxiran-2-ol?
The canonical SMILES for 3-ethenyloxiran-2-ol is C=CC1OC1O.
What is the InChIKey of 3-ethenyloxiran-2-ol?
The InChIKey is RADCXXRQOMZGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2/c1-2-3-4(5)6-3/h2-5H,1H2.
What are the key properties of 3-ethenyloxiran-2-ol?
3-ethenyloxiran-2-ol has a molecular weight of 86.09 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyloxiran-2-ol is sourced from PubChem (CID 123827977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).