2,2-bis(tert-butylperoxy)-5-methylhexane

C15H32O4 — CID 14869837

IUPAC2,2-bis(tert-butylperoxy)-5-methylhexane
SMILESCC(C)CCC(C)(OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C15H32O4/c1-12(2)10-11-15(9,18-16-13(3,4)5)19-17-14(6,7)8/h12H,10-11H2,1-9H3
InChIKeyYCEMJUKXJAXCHG-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.63
Rot. Bonds7

About 2,2-bis(tert-butylperoxy)-5-methylhexane

2,2-bis(tert-butylperoxy)-5-methylhexane (PubChem CID 14869837) has the molecular formula C15H32O4 and a molecular weight of 276.42 g/mol. Its IUPAC name is 2,2-bis(tert-butylperoxy)-5-methylhexane.

Molecular Properties

Compound Name2,2-bis(tert-butylperoxy)-5-methylhexane
PubChem CID14869837
Molecular FormulaC15H32O4
Molecular Weight276.42 g/mol
Exact Mass276.23
IUPAC Name2,2-bis(tert-butylperoxy)-5-methylhexane
SMILESCC(C)CCC(C)(OOC(C)(C)C)OOC(C)(C)C
InChIInChI=1S/C15H32O4/c1-12(2)10-11-15(9,18-16-13(3,4)5)19-17-14(6,7)8/h12H,10-11H2,1-9H3
InChIKeyYCEMJUKXJAXCHG-UHFFFAOYSA-N
XLogP4.63
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 2,2-bis(tert-butylperoxy)-5-methylhexane?
The IUPAC name of 2,2-bis(tert-butylperoxy)-5-methylhexane (CID 14869837) is 2,2-bis(tert-butylperoxy)-5-methylhexane.
What is the SMILES notation for 2,2-bis(tert-butylperoxy)-5-methylhexane?
The canonical SMILES for 2,2-bis(tert-butylperoxy)-5-methylhexane is CC(C)CCC(C)(OOC(C)(C)C)OOC(C)(C)C.
What is the InChIKey of 2,2-bis(tert-butylperoxy)-5-methylhexane?
The InChIKey is YCEMJUKXJAXCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4/c1-12(2)10-11-15(9,18-16-13(3,4)5)19-17-14(6,7)8/h12H,10-11H2,1-9H3.
What are the key properties of 2,2-bis(tert-butylperoxy)-5-methylhexane?
2,2-bis(tert-butylperoxy)-5-methylhexane has a molecular weight of 276.42 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(tert-butylperoxy)-5-methylhexane is sourced from PubChem (CID 14869837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).