2-tert-butylperoxy-2-methylpropane;hexadecane

C24H52O2 — CID 141393663

IUPAC2-tert-butylperoxy-2-methylpropane;hexadecane
SMILESCC(C)(C)OOC(C)(C)C.CCCCCCCCCCCCCCCC
InChIInChI=1S/C16H34.C8H18O2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-16H2,1-2H3;1-6H3
InChIKeyHDKXUAWGSLJUON-UHFFFAOYSA-N
MW372.68 g/mol
LogP9.02
Rot. Bonds14

About 2-tert-butylperoxy-2-methylpropane;hexadecane

2-tert-butylperoxy-2-methylpropane;hexadecane (PubChem CID 141393663) has the molecular formula C24H52O2 and a molecular weight of 372.68 g/mol. Its IUPAC name is 2-tert-butylperoxy-2-methylpropane;hexadecane.

Molecular Properties

Compound Name2-tert-butylperoxy-2-methylpropane;hexadecane
PubChem CID141393663
Molecular FormulaC24H52O2
Molecular Weight372.68 g/mol
Exact Mass372.40
IUPAC Name2-tert-butylperoxy-2-methylpropane;hexadecane
SMILESCC(C)(C)OOC(C)(C)C.CCCCCCCCCCCCCCCC
InChIInChI=1S/C16H34.C8H18O2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-16H2,1-2H3;1-6H3
InChIKeyHDKXUAWGSLJUON-UHFFFAOYSA-N
XLogP9.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 59.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-Bis(tert-butylperoxy)nonane
CID 14869840
2-Methyl-2-t-butylperoxy-3-hexadecyne
CID 15446099
2-Hydroperoxy-2-methylpropane;nonane
CID 19855271
2-Hydroperoxy-2-methylpropane;octane
CID 21917984
2-Tert-butylperoxy-2-methylpropane;hexane
CID 22241753
Tert-butylhydrogen peroxide decane
CID 87118625
2-Tert-butylperoxy-2-methylpropane;decane
CID 88920402
2,2-Bis(tert-butylperoxy)butane;dodecane
CID 88920459
Dodecane;2-methyl-2-[2-(2-methylbutan-2-ylperoxy)propan-2-ylperoxy]butane
CID 88920486
Hexadecane;2-hydroperoxy-2-methylpropane
CID 118071851
2-Methyl-2-[(2-methylpropan-2-yl)oxy]propane;octane
CID 135151753
Dodecane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 135151759

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylperoxy-2-methylpropane;hexadecane?
The IUPAC name of 2-tert-butylperoxy-2-methylpropane;hexadecane (CID 141393663) is 2-tert-butylperoxy-2-methylpropane;hexadecane.
What is the SMILES notation for 2-tert-butylperoxy-2-methylpropane;hexadecane?
The canonical SMILES for 2-tert-butylperoxy-2-methylpropane;hexadecane is CC(C)(C)OOC(C)(C)C.CCCCCCCCCCCCCCCC.
What is the InChIKey of 2-tert-butylperoxy-2-methylpropane;hexadecane?
The InChIKey is HDKXUAWGSLJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C8H18O2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-7(2,3)9-10-8(4,5)6/h3-16H2,1-2H3;1-6H3.
What are the key properties of 2-tert-butylperoxy-2-methylpropane;hexadecane?
2-tert-butylperoxy-2-methylpropane;hexadecane has a molecular weight of 372.68 g/mol, XLogP of 9.02, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylperoxy-2-methylpropane;hexadecane is sourced from PubChem (CID 141393663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).