3-(2,3-dimethyloxiran-2-yl)butan-2-one

C8H14O2 — CID 24972629

IUPAC3-(2,3-dimethyloxiran-2-yl)butan-2-one
SMILESCC(=O)C(C)C1(C)OC1C
InChIInChI=1S/C8H14O2/c1-5(6(2)9)8(4)7(3)10-8/h5,7H,1-4H3
InChIKeyRTRPGPMBWPAZTF-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds2

About 3-(2,3-dimethyloxiran-2-yl)butan-2-one

3-(2,3-dimethyloxiran-2-yl)butan-2-one (PubChem CID 24972629) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-(2,3-dimethyloxiran-2-yl)butan-2-one.

Molecular Properties

Compound Name3-(2,3-dimethyloxiran-2-yl)butan-2-one
PubChem CID24972629
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-(2,3-dimethyloxiran-2-yl)butan-2-one
SMILESCC(=O)C(C)C1(C)OC1C
InChIInChI=1S/C8H14O2/c1-5(6(2)9)8(4)7(3)10-8/h5,7H,1-4H3
InChIKeyRTRPGPMBWPAZTF-UHFFFAOYSA-N
XLogP1.39
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3-(2,3-dimethyloxiran-2-yl)butan-2-one 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-(2,3-dimethyloxiran-2-yl)butan-2-one?
The IUPAC name of 3-(2,3-dimethyloxiran-2-yl)butan-2-one (CID 24972629) is 3-(2,3-dimethyloxiran-2-yl)butan-2-one.
What is the SMILES notation for 3-(2,3-dimethyloxiran-2-yl)butan-2-one?
The canonical SMILES for 3-(2,3-dimethyloxiran-2-yl)butan-2-one is CC(=O)C(C)C1(C)OC1C.
What is the InChIKey of 3-(2,3-dimethyloxiran-2-yl)butan-2-one?
The InChIKey is RTRPGPMBWPAZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-5(6(2)9)8(4)7(3)10-8/h5,7H,1-4H3.
What are the key properties of 3-(2,3-dimethyloxiran-2-yl)butan-2-one?
3-(2,3-dimethyloxiran-2-yl)butan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyloxiran-2-yl)butan-2-one is sourced from PubChem (CID 24972629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).