2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane

C10H22O6 — CID 175369283

IUPAC2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane
SMILESCC(C)(C)OOCOOCOOC(C)(C)C
InChIInChI=1S/C10H22O6/c1-9(2,3)15-13-7-11-12-8-14-16-10(4,5)6/h7-8H2,1-6H3
InChIKeyHFPNUEWFTLIFSL-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.34
Rot. Bonds7

About 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane

2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane (PubChem CID 175369283) has the molecular formula C10H22O6 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane
PubChem CID175369283
Molecular FormulaC10H22O6
Molecular Weight238.28 g/mol
Exact Mass238.14
IUPAC Name2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane
SMILESCC(C)(C)OOCOOCOOC(C)(C)C
InChIInChI=1S/C10H22O6/c1-9(2,3)15-13-7-11-12-8-14-16-10(4,5)6/h7-8H2,1-6H3
InChIKeyHFPNUEWFTLIFSL-UHFFFAOYSA-N
XLogP2.34
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

tert-butylperoxymethanamine
CID 141267912
2-methyl-2-prop-2-enylperoxypropane
CID 13462609
2-tert-butylperoxy-2-methylpropane;hydron
CID 174785331
3,3-bis(tert-butylperoxy)pentane
CID 20542110
2,5-bis[(1-tert-butylperoxy-2-methylpropan-2-yl)peroxy]-2,5-dimethylhexane
CID 141108710
1-tert-butylperoxy-2-methyl-2-(2-methylbutan-2-ylperoxy)butane
CID 150893790
N-(tert-butylperoxymethyl)propan-2-amine
CID 20765328
sodium;2-tert-butylperoxy-2-methylpropane;hydride
CID 175059637
1-tert-butylperoxy-10,10-dimethylundecane
CID 150329885
3-tert-butylperoxy-2-oxopropanoate
CID 19431105
1,1-bis(tert-butylperoxymethyl)cyclododecane
CID 140561701
1-tert-butylperoxy-4-methylpentane
CID 154132694

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane?
The IUPAC name of 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane (CID 175369283) is 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane.
What is the SMILES notation for 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane?
The canonical SMILES for 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane is CC(C)(C)OOCOOCOOC(C)(C)C.
What is the InChIKey of 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane?
The InChIKey is HFPNUEWFTLIFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6/c1-9(2,3)15-13-7-11-12-8-14-16-10(4,5)6/h7-8H2,1-6H3.
What are the key properties of 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane?
2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane has a molecular weight of 238.28 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylperoxymethylperoxymethylperoxy)-2-methylpropane is sourced from PubChem (CID 175369283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).