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

C10H20O4 — CID 12579351

IUPAC3,3,6,6-tetraethyl-1,2,4,5-tetraoxane
SMILESCCC1(CC)OOC(CC)(CC)OO1
InChIInChI=1S/C10H20O4/c1-5-9(6-2)11-13-10(7-3,8-4)14-12-9/h5-8H2,1-4H3
InChIKeyVGCWOVJYNWNYIM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.93
Rot. Bonds4

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

3,3,6,6-tetraethyl-1,2,4,5-tetraoxane (PubChem CID 12579351) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3,3,6,6-tetraethyl-1,2,4,5-tetraoxane
PubChem CID12579351
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3,3,6,6-tetraethyl-1,2,4,5-tetraoxane
SMILESCCC1(CC)OOC(CC)(CC)OO1
InChIInChI=1S/C10H20O4/c1-5-9(6-2)11-13-10(7-3,8-4)14-12-9/h5-8H2,1-4H3
InChIKeyVGCWOVJYNWNYIM-UHFFFAOYSA-N
XLogP2.93
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3,6,6-Tetrapropyl-1,2,4,5-tetroxane
CID 314973
Tetramethyl-1,2,4,5-tetraoxane
CID 536100
3,6-Diethyl-3,6-dimethyl-1,2,4,5-tetroxane
CID 15417200
1,1,4,4-Tetraethyl-2,3-dioxa-butane-1,4-diyl bis-hydroperoxide
CID 12593571
3-Ethyl-3,6,6-trimethyl-1,2,4,5-tetraoxane
CID 18956408
1,2,4,5-Tetraoxacyclohexane, 3,3-dimethyl, 6,6-diethyl
CID 91750038
3,6-Dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane
CID 15417201
3-Ethyl-3,6-dimethyl-6-propyl-1,2,4,5-tetraoxane
CID 118372986
3,3,6-Trimethyl-6-propyl-1,2,4,5-tetraoxane
CID 163418145
3,6-Diethyl-3,6-dipropyl-1,2,4,5-tetroxane
CID 71423050
3,6-Dibutyl-3,6-dimethyl-1,2,4,5-tetraoxane
CID 101529800

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane?
The IUPAC name of 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane (CID 12579351) is 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane.
What is the SMILES notation for 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane?
The canonical SMILES for 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane is CCC1(CC)OOC(CC)(CC)OO1.
What is the InChIKey of 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane?
The InChIKey is VGCWOVJYNWNYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-9(6-2)11-13-10(7-3,8-4)14-12-9/h5-8H2,1-4H3.
What are the key properties of 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane?
3,3,6,6-tetraethyl-1,2,4,5-tetraoxane has a molecular weight of 204.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetraethyl-1,2,4,5-tetraoxane is sourced from PubChem (CID 12579351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).