3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane

C10H16O2 — CID 20520417

IUPAC3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane
SMILESC=CC1(CCC2OC2(C)C)CO1
InChIInChI=1S/C10H16O2/c1-4-10(7-11-10)6-5-8-9(2,3)12-8/h4,8H,1,5-7H2,2-3H3
InChIKeyGZPMGNOGYNJNDI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.90
Rot. Bonds4

About 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane

3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane (PubChem CID 20520417) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane
PubChem CID20520417
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane
SMILESC=CC1(CCC2OC2(C)C)CO1
InChIInChI=1S/C10H16O2/c1-4-10(7-11-10)6-5-8-9(2,3)12-8/h4,8H,1,5-7H2,2-3H3
InChIKeyGZPMGNOGYNJNDI-UHFFFAOYSA-N
XLogP1.90
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
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-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane 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-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane?
The IUPAC name of 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane (CID 20520417) is 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane.
What is the SMILES notation for 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane?
The canonical SMILES for 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane is C=CC1(CCC2OC2(C)C)CO1.
What is the InChIKey of 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane?
The InChIKey is GZPMGNOGYNJNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(7-11-10)6-5-8-9(2,3)12-8/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane?
3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane has a molecular weight of 168.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethenyloxiran-2-yl)ethyl]-2,2-dimethyloxirane is sourced from PubChem (CID 20520417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).