2,3-bis(tert-butylperoxy)-2,5-dimethylhexane

C16H34O4 — CID 19090290

IUPAC2,3-bis(tert-butylperoxy)-2,5-dimethylhexane
SMILESCC(C)CC(OOC(C)(C)C)C(C)(C)OOC(C)(C)C
InChIInChI=1S/C16H34O4/c1-12(2)11-13(17-18-14(3,4)5)16(9,10)20-19-15(6,7)8/h12-13H,11H2,1-10H3
InChIKeyRLVJUJSJPLTKMW-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.67
Rot. Bonds7

About 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane

2,3-bis(tert-butylperoxy)-2,5-dimethylhexane (PubChem CID 19090290) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane.

Molecular Properties

Compound Name2,3-bis(tert-butylperoxy)-2,5-dimethylhexane
PubChem CID19090290
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name2,3-bis(tert-butylperoxy)-2,5-dimethylhexane
SMILESCC(C)CC(OOC(C)(C)C)C(C)(C)OOC(C)(C)C
InChIInChI=1S/C16H34O4/c1-12(2)11-13(17-18-14(3,4)5)16(9,10)20-19-15(6,7)8/h12-13H,11H2,1-10H3
InChIKeyRLVJUJSJPLTKMW-UHFFFAOYSA-N
XLogP4.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane?
The IUPAC name of 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane (CID 19090290) is 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane.
What is the SMILES notation for 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane?
The canonical SMILES for 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane is CC(C)CC(OOC(C)(C)C)C(C)(C)OOC(C)(C)C.
What is the InChIKey of 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane?
The InChIKey is RLVJUJSJPLTKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-12(2)11-13(17-18-14(3,4)5)16(9,10)20-19-15(6,7)8/h12-13H,11H2,1-10H3.
What are the key properties of 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane?
2,3-bis(tert-butylperoxy)-2,5-dimethylhexane has a molecular weight of 290.44 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(tert-butylperoxy)-2,5-dimethylhexane is sourced from PubChem (CID 19090290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).