2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane

C10H16O2 — CID 6010275

IUPAC2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane
SMILESCC1OC1(C)/C=C/C1OC1(C)C
InChIInChI=1S/C10H16O2/c1-7-10(4,11-7)6-5-8-9(2,3)12-8/h5-8H,1-4H3/b6-5+
InChIKeyAJXYQJKBNYBUFD-AATRIKPKSA-N
MW168.24 g/mol
LogP1.90
Rot. Bonds2

About 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane

2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane (PubChem CID 6010275) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane.

Molecular Properties

Compound Name2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane
PubChem CID6010275
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane
SMILESCC1OC1(C)/C=C/C1OC1(C)C
InChIInChI=1S/C10H16O2/c1-7-10(4,11-7)6-5-8-9(2,3)12-8/h5-8H,1-4H3/b6-5+
InChIKeyAJXYQJKBNYBUFD-AATRIKPKSA-N
XLogP1.90
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-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 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane?
The IUPAC name of 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane (CID 6010275) is 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane.
What is the SMILES notation for 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane?
The canonical SMILES for 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane is CC1OC1(C)/C=C/C1OC1(C)C.
What is the InChIKey of 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane?
The InChIKey is AJXYQJKBNYBUFD-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-10(4,11-7)6-5-8-9(2,3)12-8/h5-8H,1-4H3/b6-5+.
What are the key properties of 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane?
2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane has a molecular weight of 168.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,3-dimethyloxiran-2-yl)ethenyl]-2,3-dimethyloxirane is sourced from PubChem (CID 6010275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).