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

C6H12O4 — CID 536100

IUPAC3,3,6,6-tetramethyl-1,2,4,5-tetraoxane
SMILESCC1(C)OOC(C)(C)OO1
InChIInChI=1S/C6H12O4/c1-5(2)7-9-6(3,4)10-8-5/h1-4H3
InChIKeySJQITXILEOCXGI-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.37
Rot. Bonds

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

3,3,6,6-tetramethyl-1,2,4,5-tetraoxane (PubChem CID 536100) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-1,2,4,5-tetraoxane
PubChem CID536100
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name3,3,6,6-tetramethyl-1,2,4,5-tetraoxane
SMILESCC1(C)OOC(C)(C)OO1
InChIInChI=1S/C6H12O4/c1-5(2)7-9-6(3,4)10-8-5/h1-4H3
InChIKeySJQITXILEOCXGI-UHFFFAOYSA-N
XLogP1.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.37
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 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane?
The IUPAC name of 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane (CID 536100) is 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane.
What is the SMILES notation for 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane?
The canonical SMILES for 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane is CC1(C)OOC(C)(C)OO1.
What is the InChIKey of 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane?
The InChIKey is SJQITXILEOCXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-5(2)7-9-6(3,4)10-8-5/h1-4H3.
What are the key properties of 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane?
3,3,6,6-tetramethyl-1,2,4,5-tetraoxane has a molecular weight of 148.16 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-1,2,4,5-tetraoxane is sourced from PubChem (CID 536100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).