2-(2-methyloxiran-2-yl)oxetane

C6H10O2 — CID 57004451

IUPAC2-(2-methyloxiran-2-yl)oxetane
SMILESCC1(C2CCO2)CO1
InChIInChI=1S/C6H10O2/c1-6(4-8-6)5-2-3-7-5/h5H,2-4H2,1H3
InChIKeyXROOTDVHRJZILR-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.56
Rot. Bonds1

About 2-(2-methyloxiran-2-yl)oxetane

2-(2-methyloxiran-2-yl)oxetane (PubChem CID 57004451) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-(2-methyloxiran-2-yl)oxetane.

Molecular Properties

Compound Name2-(2-methyloxiran-2-yl)oxetane
PubChem CID57004451
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-(2-methyloxiran-2-yl)oxetane
SMILESCC1(C2CCO2)CO1
InChIInChI=1S/C6H10O2/c1-6(4-8-6)5-2-3-7-5/h5H,2-4H2,1H3
InChIKeyXROOTDVHRJZILR-UHFFFAOYSA-N
XLogP0.56
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methyloxiran-2-yl)oxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-(3-methyloxiran-2-yl)oxirane
CID 23079599
4-Methyl-1,5-dioxaspiro[2.3]hexane
CID 23325229
3-(2-Methoxyethyl)-2,2-dimethyloxirane
CID 59936423
2-(Oxiran-2-yl)oxetane
CID 88024860
2-[2-(2-Methoxy-2-methylpropoxy)-2-methylpropyl]oxirane
CID 123446015
2-[2-[3-Methyl-3-(oxiran-2-ylmethoxy)butoxy]propan-2-yl]oxetane
CID 123452518
2,2-Dimethyl-4-[[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxymethyl]oxetane
CID 123751288
2,2-Dimethyl-3-(oxiran-2-yl)oxirane
CID 173270875
(3R)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane
CID 15786998
(3S)-3-[(1S)-1-methoxyethyl]-2,2-dimethyloxirane
CID 15787000
2-Methyl-1,5-dioxaspiro[2.3]hexane
CID 135392637
6-Methyl-1,5-dioxaspiro[2.4]heptane
CID 137938997

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxiran-2-yl)oxetane?
The IUPAC name of 2-(2-methyloxiran-2-yl)oxetane (CID 57004451) is 2-(2-methyloxiran-2-yl)oxetane.
What is the SMILES notation for 2-(2-methyloxiran-2-yl)oxetane?
The canonical SMILES for 2-(2-methyloxiran-2-yl)oxetane is CC1(C2CCO2)CO1.
What is the InChIKey of 2-(2-methyloxiran-2-yl)oxetane?
The InChIKey is XROOTDVHRJZILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(4-8-6)5-2-3-7-5/h5H,2-4H2,1H3.
What are the key properties of 2-(2-methyloxiran-2-yl)oxetane?
2-(2-methyloxiran-2-yl)oxetane has a molecular weight of 114.14 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxiran-2-yl)oxetane is sourced from PubChem (CID 57004451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).