3,4-dimethyldioxetane

C4H8O2 — CID 13414526

IUPAC3,4-dimethyldioxetane
SMILESCC1OOC1C
InChIInChI=1S/C4H8O2/c1-3-4(2)6-5-3/h3-4H,1-2H3
InChIKeyKHNQVTBXUYKGDF-UHFFFAOYSA-N
MW88.11 g/mol
LogP0.73
Rot. Bonds

About 3,4-dimethyldioxetane

3,4-dimethyldioxetane (PubChem CID 13414526) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is 3,4-dimethyldioxetane.

Molecular Properties

Compound Name3,4-dimethyldioxetane
PubChem CID13414526
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name3,4-dimethyldioxetane
SMILESCC1OOC1C
InChIInChI=1S/C4H8O2/c1-3-4(2)6-5-3/h3-4H,1-2H3
InChIKeyKHNQVTBXUYKGDF-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 3,4-dimethyldioxetane?
The IUPAC name of 3,4-dimethyldioxetane (CID 13414526) is 3,4-dimethyldioxetane.
What is the SMILES notation for 3,4-dimethyldioxetane?
The canonical SMILES for 3,4-dimethyldioxetane is CC1OOC1C.
What is the InChIKey of 3,4-dimethyldioxetane?
The InChIKey is KHNQVTBXUYKGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2/c1-3-4(2)6-5-3/h3-4H,1-2H3.
What are the key properties of 3,4-dimethyldioxetane?
3,4-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 3,4-dimethyldioxetane is sourced from PubChem (CID 13414526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).