potassium;2-hydroperoxy-2-methylpropane;hypobromite

C4H10BrKO3 — CID 157454596

IUPACpotassium;2-hydroperoxy-2-methylpropane;hypobromite
SMILESCC(C)(C)OO.[K+].[O-]Br
InChIInChI=1S/C4H10O2.BrO.K/c1-4(2,3)6-5;1-2;/h5H,1-3H3;;/q;-1;+1
InChIKeyBTEWWHYFHMAJQX-UHFFFAOYSA-N
MW225.12 g/mol
LogP-2.06
Rot. Bonds

About potassium;2-hydroperoxy-2-methylpropane;hypobromite

potassium;2-hydroperoxy-2-methylpropane;hypobromite (PubChem CID 157454596) has the molecular formula C4H10BrKO3 and a molecular weight of 225.12 g/mol. Its IUPAC name is potassium;2-hydroperoxy-2-methylpropane;hypobromite.

Molecular Properties

Compound Namepotassium;2-hydroperoxy-2-methylpropane;hypobromite
PubChem CID157454596
Molecular FormulaC4H10BrKO3
Molecular Weight225.12 g/mol
Exact Mass223.95
IUPAC Namepotassium;2-hydroperoxy-2-methylpropane;hypobromite
SMILESCC(C)(C)OO.[K+].[O-]Br
InChIInChI=1S/C4H10O2.BrO.K/c1-4(2,3)6-5;1-2;/h5H,1-3H3;;/q;-1;+1
InChIKeyBTEWWHYFHMAJQX-UHFFFAOYSA-N
XLogP-2.06
TPSA52.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 5-2.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
CID 88830033
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
CID 176988687
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
CID 173224228
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
CID 172755800
2-hydroperoxy-2-methylpropane;2-methyloxirane
CID 158620192
(Z)-but-2-enedioic acid;2-hydroperoxy-2-methylpropane
CID 162307611
2-hydroperoxy-2-methylpropane;prop-2-enoic acid
CID 158563698
1,1-dichloro-1-hydroperoxyethane
CID 13297790
2-hydroperoxy-2-methylpropane;terephthalic acid
CID 160701504
potassium 1,1-dihydroxyethanolate
CID 142786674

Frequently Asked Questions

What is the IUPAC name of potassium;2-hydroperoxy-2-methylpropane;hypobromite?
The IUPAC name of potassium;2-hydroperoxy-2-methylpropane;hypobromite (CID 157454596) is potassium;2-hydroperoxy-2-methylpropane;hypobromite.
What is the SMILES notation for potassium;2-hydroperoxy-2-methylpropane;hypobromite?
The canonical SMILES for potassium;2-hydroperoxy-2-methylpropane;hypobromite is CC(C)(C)OO.[K+].[O-]Br.
What is the InChIKey of potassium;2-hydroperoxy-2-methylpropane;hypobromite?
The InChIKey is BTEWWHYFHMAJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.BrO.K/c1-4(2,3)6-5;1-2;/h5H,1-3H3;;/q;-1;+1.
What are the key properties of potassium;2-hydroperoxy-2-methylpropane;hypobromite?
potassium;2-hydroperoxy-2-methylpropane;hypobromite has a molecular weight of 225.12 g/mol, XLogP of -2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-hydroperoxy-2-methylpropane;hypobromite is sourced from PubChem (CID 157454596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).