2-(ethenoxymethyl)-2-ethyloxirane

C7H12O2 — CID 152715557

IUPAC2-(ethenoxymethyl)-2-ethyloxirane
SMILESC=COCC1(CC)CO1
InChIInChI=1S/C7H12O2/c1-3-7(6-9-7)5-8-4-2/h4H,2-3,5-6H2,1H3
InChIKeyZUNHMRYVHGLINB-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.33
Rot. Bonds4

About 2-(ethenoxymethyl)-2-ethyloxirane

2-(ethenoxymethyl)-2-ethyloxirane (PubChem CID 152715557) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-(ethenoxymethyl)-2-ethyloxirane.

Molecular Properties

Compound Name2-(ethenoxymethyl)-2-ethyloxirane
PubChem CID152715557
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-(ethenoxymethyl)-2-ethyloxirane
SMILESC=COCC1(CC)CO1
InChIInChI=1S/C7H12O2/c1-3-7(6-9-7)5-8-4-2/h4H,2-3,5-6H2,1H3
InChIKeyZUNHMRYVHGLINB-UHFFFAOYSA-N
XLogP1.33
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-(ethenoxymethyl)-2-ethyloxirane 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 2-(ethenoxymethyl)-2-ethyloxirane?
The IUPAC name of 2-(ethenoxymethyl)-2-ethyloxirane (CID 152715557) is 2-(ethenoxymethyl)-2-ethyloxirane.
What is the SMILES notation for 2-(ethenoxymethyl)-2-ethyloxirane?
The canonical SMILES for 2-(ethenoxymethyl)-2-ethyloxirane is C=COCC1(CC)CO1.
What is the InChIKey of 2-(ethenoxymethyl)-2-ethyloxirane?
The InChIKey is ZUNHMRYVHGLINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7(6-9-7)5-8-4-2/h4H,2-3,5-6H2,1H3.
What are the key properties of 2-(ethenoxymethyl)-2-ethyloxirane?
2-(ethenoxymethyl)-2-ethyloxirane has a molecular weight of 128.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethyl)-2-ethyloxirane is sourced from PubChem (CID 152715557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).