2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane

C16H34O4 — CID 22253290

IUPAC2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane
SMILESCCC(C)OOC(C)(C)CCC(C)(C)OOC(C)CC
InChIInChI=1S/C16H34O4/c1-9-13(3)17-19-15(5,6)11-12-16(7,8)20-18-14(4)10-2/h13-14H,9-12H2,1-8H3
InChIKeyAHSDGYDBYUAZIS-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.82
Rot. Bonds11

About 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane

2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane (PubChem CID 22253290) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane.

Molecular Properties

Compound Name2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane
PubChem CID22253290
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane
SMILESCCC(C)OOC(C)(C)CCC(C)(C)OOC(C)CC
InChIInChI=1S/C16H34O4/c1-9-13(3)17-19-15(5,6)11-12-16(7,8)20-18-14(4)10-2/h13-14H,9-12H2,1-8H3
InChIKeyAHSDGYDBYUAZIS-UHFFFAOYSA-N
XLogP4.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.82
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 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane?
The IUPAC name of 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane (CID 22253290) is 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane.
What is the SMILES notation for 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane?
The canonical SMILES for 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane is CCC(C)OOC(C)(C)CCC(C)(C)OOC(C)CC.
What is the InChIKey of 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane?
The InChIKey is AHSDGYDBYUAZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-9-13(3)17-19-15(5,6)11-12-16(7,8)20-18-14(4)10-2/h13-14H,9-12H2,1-8H3.
What are the key properties of 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane?
2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane has a molecular weight of 290.44 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(butan-2-ylperoxy)-2,5-dimethylhexane is sourced from PubChem (CID 22253290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).