(3S,4S)-3,4-dimethyldioxetane

C4H8O2 — CID 71366488

IUPAC(3S,4S)-3,4-dimethyldioxetane
SMILESC[C@@H]1OO[C@H]1C
InChIInChI=1S/C4H8O2/c1-3-4(2)6-5-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyKHNQVTBXUYKGDF-IMJSIDKUSA-N
MW88.11 g/mol
LogP0.73
Rot. Bonds

About (3S,4S)-3,4-dimethyldioxetane

(3S,4S)-3,4-dimethyldioxetane (PubChem CID 71366488) has the molecular formula C4H8O2 and a molecular weight of 88.11 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethyldioxetane.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethyldioxetane
PubChem CID71366488
Molecular FormulaC4H8O2
Molecular Weight88.11 g/mol
Exact Mass88.05
IUPAC Name(3S,4S)-3,4-dimethyldioxetane
SMILESC[C@@H]1OO[C@H]1C
InChIInChI=1S/C4H8O2/c1-3-4(2)6-5-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKeyKHNQVTBXUYKGDF-IMJSIDKUSA-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 (3S,4S)-3,4-dimethyldioxetane?
The IUPAC name of (3S,4S)-3,4-dimethyldioxetane (CID 71366488) is (3S,4S)-3,4-dimethyldioxetane.
What is the SMILES notation for (3S,4S)-3,4-dimethyldioxetane?
The canonical SMILES for (3S,4S)-3,4-dimethyldioxetane is C[C@@H]1OO[C@H]1C.
What is the InChIKey of (3S,4S)-3,4-dimethyldioxetane?
The InChIKey is KHNQVTBXUYKGDF-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H8O2/c1-3-4(2)6-5-3/h3-4H,1-2H3/t3-,4-/m0/s1.
What are the key properties of (3S,4S)-3,4-dimethyldioxetane?
(3S,4S)-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 (3S,4S)-3,4-dimethyldioxetane is sourced from PubChem (CID 71366488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).