2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal

C8H14O4 — CID 140995849

IUPAC2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal
SMILESCC(C)(C=O)OOC(C)(C)C=O
InChIInChI=1S/C8H14O4/c1-7(2,5-9)11-12-8(3,4)6-10/h5-6H,1-4H3
InChIKeyLVEUZCTZMRKQRU-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.89
Rot. Bonds5

About 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal

2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal (PubChem CID 140995849) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal
PubChem CID140995849
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal
SMILESCC(C)(C=O)OOC(C)(C)C=O
InChIInChI=1S/C8H14O4/c1-7(2,5-9)11-12-8(3,4)6-10/h5-6H,1-4H3
InChIKeyLVEUZCTZMRKQRU-UHFFFAOYSA-N
XLogP0.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

alumane;2,2-dimethylpropanal
CID 173462477
(2-methyl-1-oxopropan-2-yl) propanoate
CID 88871644
(E)-2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene
CID 11659272
2-(2,3-dimethylbut-2-enoxy)-2-methylpropanal
CID 135079183
2-methyl-2-sulfanylpropanal
CID 21408508
2,2-dimethylpropanal;methanamine
CID 54475082
[2-methyl-4-(2-methyl-1-oxopropan-2-yl)oxybutan-2-yl] formate
CID 167154058
2-tert-butyl-2,3,3-trimethylbutanal
CID 20714170
2,2,3,3,4-pentamethylpentanal
CID 87784908
2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-ene;hydrogen peroxide
CID 157235691
3-tert-butylperoxy-3-methylbut-1-ene
CID 11829716
cyclopentane;2,2-dimethoxypropanal;ethane;bis(2-methylpropane)
CID 162282619

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal?
The IUPAC name of 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal (CID 140995849) is 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal.
What is the SMILES notation for 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal?
The canonical SMILES for 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal is CC(C)(C=O)OOC(C)(C)C=O.
What is the InChIKey of 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal?
The InChIKey is LVEUZCTZMRKQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-7(2,5-9)11-12-8(3,4)6-10/h5-6H,1-4H3.
What are the key properties of 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal?
2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal has a molecular weight of 174.20 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal is sourced from PubChem (CID 140995849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).