3-tert-butylperoxy-3-methyl-1-methylperoxypentane

C11H24O4 — CID 175072319

IUPAC3-tert-butylperoxy-3-methyl-1-methylperoxypentane
SMILESCCC(C)(CCOOC)OOC(C)(C)C
InChIInChI=1S/C11H24O4/c1-7-11(5,8-9-13-12-6)15-14-10(2,3)4/h7-9H2,1-6H3
InChIKeyJFIFRESPXKJCNE-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.87
Rot. Bonds7

About 3-tert-butylperoxy-3-methyl-1-methylperoxypentane

3-tert-butylperoxy-3-methyl-1-methylperoxypentane (PubChem CID 175072319) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-tert-butylperoxy-3-methyl-1-methylperoxypentane.

Molecular Properties

Compound Name3-tert-butylperoxy-3-methyl-1-methylperoxypentane
PubChem CID175072319
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name3-tert-butylperoxy-3-methyl-1-methylperoxypentane
SMILESCCC(C)(CCOOC)OOC(C)(C)C
InChIInChI=1S/C11H24O4/c1-7-11(5,8-9-13-12-6)15-14-10(2,3)4/h7-9H2,1-6H3
InChIKeyJFIFRESPXKJCNE-UHFFFAOYSA-N
XLogP2.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 150893790
4,7-bis(tert-butylperoxy)-7-methylnon-2-yne
CID 87932663
3,3-bis(tert-butylperoxy)pentane
CID 20542110
2-tert-butylperoxy-2,5-dimethyl-5-methylperoxyhexane
CID 58986388
2,5-bis(tert-butylperoxy)-2,5,7-trimethyloctane
CID 175767272
3-methyl-1-(3-methylpentan-3-yloxy)-3-(2-methylpropoxy)pentane
CID 89169879
2-(2-tert-butylperoxypropan-2-ylperoxy)-2-methylpropane;propane
CID 160538255
2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane
CID 175369283
2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
1-tert-butylperoxy-4-methylpentane
CID 154132694

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylperoxy-3-methyl-1-methylperoxypentane?
The IUPAC name of 3-tert-butylperoxy-3-methyl-1-methylperoxypentane (CID 175072319) is 3-tert-butylperoxy-3-methyl-1-methylperoxypentane.
What is the SMILES notation for 3-tert-butylperoxy-3-methyl-1-methylperoxypentane?
The canonical SMILES for 3-tert-butylperoxy-3-methyl-1-methylperoxypentane is CCC(C)(CCOOC)OOC(C)(C)C.
What is the InChIKey of 3-tert-butylperoxy-3-methyl-1-methylperoxypentane?
The InChIKey is JFIFRESPXKJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-7-11(5,8-9-13-12-6)15-14-10(2,3)4/h7-9H2,1-6H3.
What are the key properties of 3-tert-butylperoxy-3-methyl-1-methylperoxypentane?
3-tert-butylperoxy-3-methyl-1-methylperoxypentane has a molecular weight of 220.31 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylperoxy-3-methyl-1-methylperoxypentane is sourced from PubChem (CID 175072319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).