3,3-dimethyldioxetane

C4H8O2 — CID 11083824

IUPAC3,3-dimethyldioxetane
SMILESCC1(C)COO1
InChIInChI=1S/C4H8O2/c1-4(2)3-5-6-4/h3H2,1-2H3
InChIKeyOMOBSUSJWVJRPR-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.73
Rot. Bonds

About 3,3-dimethyldioxetane

3,3-dimethyldioxetane (PubChem CID 11083824) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 3,3-dimethyldioxetane.

Molecular Properties

Compound Name3,3-dimethyldioxetane
PubChem CID11083824
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name3,3-dimethyldioxetane
SMILESCC1(C)COO1
InChIInChI=1S/C4H8O2/c1-4(2)3-5-6-4/h3H2,1-2H3
InChIKeyOMOBSUSJWVJRPR-UHFFFAOYSA-N
XLogP0.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyldioxetane?
The IUPAC name of 3,3-dimethyldioxetane (CID 11083824) is 3,3-dimethyldioxetane.
What is the SMILES notation for 3,3-dimethyldioxetane?
The canonical SMILES for 3,3-dimethyldioxetane is CC1(C)COO1.
What is the InChIKey of 3,3-dimethyldioxetane?
The InChIKey is OMOBSUSJWVJRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-4(2)3-5-6-4/h3H2,1-2H3.
What are the key properties of 3,3-dimethyldioxetane?
3,3-dimethyldioxetane has a molecular weight of 88.11 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyldioxetane is sourced from PubChem (CID 11083824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).