3,6-dimethyl-1,2,4,5-tetraoxane

C4H8O4 — CID 14267653

IUPAC3,6-dimethyl-1,2,4,5-tetraoxane
SMILESCC1OOC(C)OO1
InChIInChI=1S/C4H8O4/c1-3-5-7-4(2)8-6-3/h3-4H,1-2H3
InChIKeyKGZCXIZGFDTDKL-UHFFFAOYSA-N
MW120.10 g/mol
LogP0.59
Rot. Bonds

About 3,6-dimethyl-1,2,4,5-tetraoxane

3,6-dimethyl-1,2,4,5-tetraoxane (PubChem CID 14267653) has the molecular formula C4H8O4 and a molecular weight of 120.10 g/mol. Its IUPAC name is 3,6-dimethyl-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3,6-dimethyl-1,2,4,5-tetraoxane
PubChem CID14267653
Molecular FormulaC4H8O4
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name3,6-dimethyl-1,2,4,5-tetraoxane
SMILESCC1OOC(C)OO1
InChIInChI=1S/C4H8O4/c1-3-5-7-4(2)8-6-3/h3-4H,1-2H3
InChIKeyKGZCXIZGFDTDKL-UHFFFAOYSA-N
XLogP0.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,2,4,5-tetraoxane?
The IUPAC name of 3,6-dimethyl-1,2,4,5-tetraoxane (CID 14267653) is 3,6-dimethyl-1,2,4,5-tetraoxane.
What is the SMILES notation for 3,6-dimethyl-1,2,4,5-tetraoxane?
The canonical SMILES for 3,6-dimethyl-1,2,4,5-tetraoxane is CC1OOC(C)OO1.
What is the InChIKey of 3,6-dimethyl-1,2,4,5-tetraoxane?
The InChIKey is KGZCXIZGFDTDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O4/c1-3-5-7-4(2)8-6-3/h3-4H,1-2H3.
What are the key properties of 3,6-dimethyl-1,2,4,5-tetraoxane?
3,6-dimethyl-1,2,4,5-tetraoxane has a molecular weight of 120.10 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,2,4,5-tetraoxane is sourced from PubChem (CID 14267653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).