1,5-bis(tert-butylperoxy)-2,5-dimethylhexane

C16H34O4 — CID 18177592

IUPAC1,5-bis(tert-butylperoxy)-2,5-dimethylhexane
SMILESCC(CCC(C)(C)OOC(C)(C)C)COOC(C)(C)C
InChIInChI=1S/C16H34O4/c1-13(12-17-18-14(2,3)4)10-11-16(8,9)20-19-15(5,6)7/h13H,10-12H2,1-9H3
InChIKeyMXFMGMBTGPFXFJ-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.67
Rot. Bonds8

About 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane

1,5-bis(tert-butylperoxy)-2,5-dimethylhexane (PubChem CID 18177592) has the molecular formula C16H34O4 and a molecular weight of 290.44 g/mol. Its IUPAC name is 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane.

Molecular Properties

Compound Name1,5-bis(tert-butylperoxy)-2,5-dimethylhexane
PubChem CID18177592
Molecular FormulaC16H34O4
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name1,5-bis(tert-butylperoxy)-2,5-dimethylhexane
SMILESCC(CCC(C)(C)OOC(C)(C)C)COOC(C)(C)C
InChIInChI=1S/C16H34O4/c1-13(12-17-18-14(2,3)4)10-11-16(8,9)20-19-15(5,6)7/h13H,10-12H2,1-9H3
InChIKeyMXFMGMBTGPFXFJ-UHFFFAOYSA-N
XLogP4.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane?
The IUPAC name of 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane (CID 18177592) is 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane.
What is the SMILES notation for 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane?
The canonical SMILES for 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane is CC(CCC(C)(C)OOC(C)(C)C)COOC(C)(C)C.
What is the InChIKey of 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane?
The InChIKey is MXFMGMBTGPFXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4/c1-13(12-17-18-14(2,3)4)10-11-16(8,9)20-19-15(5,6)7/h13H,10-12H2,1-9H3.
What are the key properties of 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane?
1,5-bis(tert-butylperoxy)-2,5-dimethylhexane has a molecular weight of 290.44 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(tert-butylperoxy)-2,5-dimethylhexane is sourced from PubChem (CID 18177592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).