1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane

C14H30O4 — CID 150893790

IUPAC1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane
SMILESCCC(C)(C)OOC(C)(CC)COOC(C)(C)C
InChIInChI=1S/C14H30O4/c1-9-13(6,7)17-18-14(8,10-2)11-15-16-12(3,4)5/h9-11H2,1-8H3
InChIKeyKYOGOYULLYZRDK-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.04
Rot. Bonds8

About 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane

1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane (PubChem CID 150893790) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane.

Molecular Properties

Compound Name1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane
PubChem CID150893790
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane
SMILESCCC(C)(C)OOC(C)(CC)COOC(C)(C)C
InChIInChI=1S/C14H30O4/c1-9-13(6,7)17-18-14(8,10-2)11-15-16-12(3,4)5/h9-11H2,1-8H3
InChIKeyKYOGOYULLYZRDK-UHFFFAOYSA-N
XLogP4.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.04
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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Related Compounds

2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane
CID 141108710
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
2,4-dimethyl-3,3-bis(2-methylbutan-2-ylperoxy)pentane
CID 139945228
2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane
CID 175369283
dodecane;2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 159573008
3-tert-butylperoxy-3-methyl-1-methylperoxypentane
CID 175072319
2,3,4,4,5,6-hexamethyl-2,6-bis(2-methylbutan-2-ylperoxy)heptane
CID 6451505
2,5-bis(tert-butylperoxy)-2,5,7-trimethyloctane
CID 175767272
2-methyl-2,5-bis(2-methylbutan-2-ylperoxy)hexane
CID 154640882
1-tert-butylperoxy-4-methylpentane
CID 154132694
tert-butylperoxymethanamine
CID 141267912
3,3-bis(tert-butylperoxy)pentane
CID 20542110

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane?
The IUPAC name of 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane (CID 150893790) is 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane.
What is the SMILES notation for 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane?
The canonical SMILES for 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane is CCC(C)(C)OOC(C)(CC)COOC(C)(C)C.
What is the InChIKey of 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane?
The InChIKey is KYOGOYULLYZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-9-13(6,7)17-18-14(8,10-2)11-15-16-12(3,4)5/h9-11H2,1-8H3.
What are the key properties of 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane?
1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane has a molecular weight of 262.39 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane is sourced from PubChem (CID 150893790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).