3-methyl-3-propyldioxirane

C5H10O2 — CID 13451050

IUPAC3-methyl-3-propyldioxirane
SMILESCCCC1(C)OO1
InChIInChI=1S/C5H10O2/c1-3-4-5(2)6-7-5/h3-4H2,1-2H3
InChIKeyGLHZPJUCYSJPBF-UHFFFAOYSA-N
MW102.13 g/mol
LogP1.46
Rot. Bonds2

About 3-methyl-3-propyldioxirane

3-methyl-3-propyldioxirane (PubChem CID 13451050) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 3-methyl-3-propyldioxirane.

Molecular Properties

Compound Name3-methyl-3-propyldioxirane
PubChem CID13451050
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name3-methyl-3-propyldioxirane
SMILESCCCC1(C)OO1
InChIInChI=1S/C5H10O2/c1-3-4-5(2)6-7-5/h3-4H2,1-2H3
InChIKeyGLHZPJUCYSJPBF-UHFFFAOYSA-N
XLogP1.46
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-propyldioxirane?
The IUPAC name of 3-methyl-3-propyldioxirane (CID 13451050) is 3-methyl-3-propyldioxirane.
What is the SMILES notation for 3-methyl-3-propyldioxirane?
The canonical SMILES for 3-methyl-3-propyldioxirane is CCCC1(C)OO1.
What is the InChIKey of 3-methyl-3-propyldioxirane?
The InChIKey is GLHZPJUCYSJPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-4-5(2)6-7-5/h3-4H2,1-2H3.
What are the key properties of 3-methyl-3-propyldioxirane?
3-methyl-3-propyldioxirane has a molecular weight of 102.13 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-propyldioxirane is sourced from PubChem (CID 13451050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).