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

C10H20O4 — CID 15417201

IUPAC3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane
SMILESCCCC1(C)OOC(C)(CCC)OO1
InChIInChI=1S/C10H20O4/c1-5-7-9(3)11-13-10(4,8-6-2)14-12-9/h5-8H2,1-4H3
InChIKeyKGHLSJXYFPUGPC-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.93
Rot. Bonds4

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

3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane (PubChem CID 15417201) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane.

Molecular Properties

Compound Name3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane
PubChem CID15417201
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane
SMILESCCCC1(C)OOC(C)(CCC)OO1
InChIInChI=1S/C10H20O4/c1-5-7-9(3)11-13-10(4,8-6-2)14-12-9/h5-8H2,1-4H3
InChIKeyKGHLSJXYFPUGPC-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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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane?
The IUPAC name of 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane (CID 15417201) is 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane.
What is the SMILES notation for 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane?
The canonical SMILES for 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane is CCCC1(C)OOC(C)(CCC)OO1.
What is the InChIKey of 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane?
The InChIKey is KGHLSJXYFPUGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-7-9(3)11-13-10(4,8-6-2)14-12-9/h5-8H2,1-4H3.
What are the key properties of 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane?
3,6-dimethyl-3,6-dipropyl-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 3,6-dimethyl-3,6-dipropyl-1,2,4,5-tetraoxane is sourced from PubChem (CID 15417201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).