(3-ethenyloxiran-2-yl)methanol

C5H8O2 — CID 14282994

IUPAC(3-ethenyloxiran-2-yl)methanol
SMILESC=CC1OC1CO
InChIInChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2
InChIKeyJOODUMVMXMJPTD-UHFFFAOYSA-N
MW100.12 g/mol
LogP-0.07
Rot. Bonds2

About (3-ethenyloxiran-2-yl)methanol

(3-ethenyloxiran-2-yl)methanol (PubChem CID 14282994) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (3-ethenyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-ethenyloxiran-2-yl)methanol
PubChem CID14282994
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(3-ethenyloxiran-2-yl)methanol
SMILESC=CC1OC1CO
InChIInChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2
InChIKeyJOODUMVMXMJPTD-UHFFFAOYSA-N
XLogP-0.07
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.07
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'}

Analyze (3-ethenyloxiran-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-ethenyloxiran-2-yl)methanol?
The IUPAC name of (3-ethenyloxiran-2-yl)methanol (CID 14282994) is (3-ethenyloxiran-2-yl)methanol.
What is the SMILES notation for (3-ethenyloxiran-2-yl)methanol?
The canonical SMILES for (3-ethenyloxiran-2-yl)methanol is C=CC1OC1CO.
What is the InChIKey of (3-ethenyloxiran-2-yl)methanol?
The InChIKey is JOODUMVMXMJPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2.
What are the key properties of (3-ethenyloxiran-2-yl)methanol?
(3-ethenyloxiran-2-yl)methanol has a molecular weight of 100.12 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenyloxiran-2-yl)methanol is sourced from PubChem (CID 14282994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).