2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane

C7H10O3 — CID 57271026

IUPAC2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane
SMILESCC1OC1C1(C2CO2)CO1
InChIInChI=1S/C7H10O3/c1-4-6(10-4)7(3-9-7)5-2-8-5/h4-6H,2-3H2,1H3
InChIKeyROFRTKLVONIKGT-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.06
Rot. Bonds2

About 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane

2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane (PubChem CID 57271026) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane.

Molecular Properties

Compound Name2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane
PubChem CID57271026
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane
SMILESCC1OC1C1(C2CO2)CO1
InChIInChI=1S/C7H10O3/c1-4-6(10-4)7(3-9-7)5-2-8-5/h4-6H,2-3H2,1H3
InChIKeyROFRTKLVONIKGT-UHFFFAOYSA-N
XLogP-0.06
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane 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-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane?
The IUPAC name of 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane (CID 57271026) is 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane.
What is the SMILES notation for 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane?
The canonical SMILES for 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane is CC1OC1C1(C2CO2)CO1.
What is the InChIKey of 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane?
The InChIKey is ROFRTKLVONIKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-6(10-4)7(3-9-7)5-2-8-5/h4-6H,2-3H2,1H3.
What are the key properties of 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane?
2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane has a molecular weight of 142.15 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(oxiran-2-yl)oxiran-2-yl]oxirane is sourced from PubChem (CID 57271026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).