2,2-dimethyloxirane

C4H8O — CID 11208

IUPAC2,2-dimethyloxirane
SMILESCC1(C)CO1
InChIInChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
InChIKeyGELKGHVAFRCJNA-UHFFFAOYSA-N
MW72.11 g/mol
LogP0.80
Rot. Bonds

About 2,2-dimethyloxirane

2,2-dimethyloxirane (PubChem CID 11208) has the molecular formula C4H8O and a molecular weight of 72.11 g/mol. Its IUPAC name is 2,2-dimethyloxirane.

Molecular Properties

Compound Name2,2-dimethyloxirane
PubChem CID11208
Molecular FormulaC4H8O
Molecular Weight72.11 g/mol
Exact Mass72.06
IUPAC Name2,2-dimethyloxirane
SMILESCC1(C)CO1
InChIInChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3
InChIKeyGELKGHVAFRCJNA-UHFFFAOYSA-N
XLogP0.80
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyloxirane?
The IUPAC name of 2,2-dimethyloxirane (CID 11208) is 2,2-dimethyloxirane.
What is the SMILES notation for 2,2-dimethyloxirane?
The canonical SMILES for 2,2-dimethyloxirane is CC1(C)CO1.
What is the InChIKey of 2,2-dimethyloxirane?
The InChIKey is GELKGHVAFRCJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O/c1-4(2)3-5-4/h3H2,1-2H3.
What are the key properties of 2,2-dimethyloxirane?
2,2-dimethyloxirane has a molecular weight of 72.11 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyloxirane is sourced from PubChem (CID 11208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).