2-ethyl-2,3-dimethyloxirane

C6H12O — CID 12936856

IUPAC2-ethyl-2,3-dimethyloxirane
SMILESCCC1(C)OC1C
InChIInChI=1S/C6H12O/c1-4-6(3)5(2)7-6/h5H,4H2,1-3H3
InChIKeyZISUZIXPPXXNPC-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.57
Rot. Bonds1

About 2-ethyl-2,3-dimethyloxirane

2-ethyl-2,3-dimethyloxirane (PubChem CID 12936856) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is 2-ethyl-2,3-dimethyloxirane.

Molecular Properties

Compound Name2-ethyl-2,3-dimethyloxirane
PubChem CID12936856
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name2-ethyl-2,3-dimethyloxirane
SMILESCCC1(C)OC1C
InChIInChI=1S/C6H12O/c1-4-6(3)5(2)7-6/h5H,4H2,1-3H3
InChIKeyZISUZIXPPXXNPC-UHFFFAOYSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.57
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-ethyl-2,3-dimethyloxirane?
The IUPAC name of 2-ethyl-2,3-dimethyloxirane (CID 12936856) is 2-ethyl-2,3-dimethyloxirane.
What is the SMILES notation for 2-ethyl-2,3-dimethyloxirane?
The canonical SMILES for 2-ethyl-2,3-dimethyloxirane is CCC1(C)OC1C.
What is the InChIKey of 2-ethyl-2,3-dimethyloxirane?
The InChIKey is ZISUZIXPPXXNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-4-6(3)5(2)7-6/h5H,4H2,1-3H3.
What are the key properties of 2-ethyl-2,3-dimethyloxirane?
2-ethyl-2,3-dimethyloxirane has a molecular weight of 100.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dimethyloxirane is sourced from PubChem (CID 12936856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).