2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid

C6H10O6 — CID 22461779

IUPAC2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid
SMILESCC(C)(C)OOOC(=O)C(=O)O
InChIInChI=1S/C6H10O6/c1-6(2,3)11-12-10-5(9)4(7)8/h1-3H3,(H,7,8)
InChIKeyRTSVGQJMESMLBE-UHFFFAOYSA-N
MW178.14 g/mol
LogP0.28
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid

2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid (PubChem CID 22461779) has the molecular formula C6H10O6 and a molecular weight of 178.14 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid
PubChem CID22461779
Molecular FormulaC6H10O6
Molecular Weight178.14 g/mol
Exact Mass178.05
IUPAC Name2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid
SMILESCC(C)(C)OOOC(=O)C(=O)O
InChIInChI=1S/C6H10O6/c1-6(2,3)11-12-10-5(9)4(7)8/h1-3H3,(H,7,8)
InChIKeyRTSVGQJMESMLBE-UHFFFAOYSA-N
XLogP0.28
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxalooxyperoxy-2-oxoacetic acid;dihydrate
CID 141168013
tert-butylperoxy hydrogen carbonate;prop-1-ene
CID 175150444
carbonic acid;2-hydroperoxyperoxy-2-methylpropane
CID 174991534
bis[(2-methylpropan-2-yl)oxy] (E)-2-propan-2-ylbut-2-enediperoxoate
CID 87827614
bis[(2-methylpropan-2-yl)oxy] (E)-2-ethylbut-2-enediperoxoate
CID 118599931
2-[(2-methylpropan-2-yl)oxyperoxy]propan-2-yl hydrogen carbonate
CID 151418656
ditert-butyl (Z)-but-2-enediperoxoate
CID 14454683
tert-butylperoxy propyl carbonate
CID 22326011
tert-butylperoxycarbonyloxy (2-methylpropan-2-yl)oxy carbonate
CID 154021556
tert-butylperoxy benzenecarboperoxoate
CID 19065300
(2-methylpropan-2-yl)oxy 6,6-dimethylheptaneperoxoate
CID 141059221
1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate
CID 88597969

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid (CID 22461779) is 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid is CC(C)(C)OOOC(=O)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid?
The InChIKey is RTSVGQJMESMLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O6/c1-6(2,3)11-12-10-5(9)4(7)8/h1-3H3,(H,7,8).
What are the key properties of 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid?
2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid has a molecular weight of 178.14 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid is sourced from PubChem (CID 22461779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).