3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane

C12H24O4 — CID 71423050

IUPAC3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane
SMILESCCCC1(CC)OOC(CC)(CCC)OO1
InChIInChI=1S/C12H24O4/c1-5-9-11(7-3)13-15-12(8-4,10-6-2)16-14-11/h5-10H2,1-4H3
InChIKeyKXGWMXKABLWMIB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.71
Rot. Bonds6

About 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane

3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane (PubChem CID 71423050) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane
PubChem CID71423050
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane
SMILESCCCC1(CC)OOC(CC)(CCC)OO1
InChIInChI=1S/C12H24O4/c1-5-9-11(7-3)13-15-12(8-4,10-6-2)16-14-11/h5-10H2,1-4H3
InChIKeyKXGWMXKABLWMIB-UHFFFAOYSA-N
XLogP3.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.71
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-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane?
The IUPAC name of 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane (CID 71423050) is 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane.
What is the SMILES notation for 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane?
The canonical SMILES for 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane is CCCC1(CC)OOC(CC)(CCC)OO1.
What is the InChIKey of 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane?
The InChIKey is KXGWMXKABLWMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-5-9-11(7-3)13-15-12(8-4,10-6-2)16-14-11/h5-10H2,1-4H3.
What are the key properties of 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane?
3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane has a molecular weight of 232.32 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3,6-dipropyl-1,2,4,5-tetraoxane is sourced from PubChem (CID 71423050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).