sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid

C4H13NaO6S — CID 173224228

IUPACsodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
SMILESCC(C)(C)OO.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C4H10O2.Na.H2O4S.H/c1-4(2,3)6-5;;1-5(2,3)4;/h5H,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyQZPRZARYSJEDHT-UHFFFAOYSA-N
MW212.20 g/mol
LogP-2.26
Rot. Bonds

About sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid

sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid (PubChem CID 173224228) has the molecular formula C4H13NaO6S and a molecular weight of 212.20 g/mol. Its IUPAC name is sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid.

Molecular Properties

Compound Namesodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
PubChem CID173224228
Molecular FormulaC4H13NaO6S
Molecular Weight212.20 g/mol
Exact Mass212.03
IUPAC Namesodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
SMILESCC(C)(C)OO.O=S(=O)(O)O.[H-].[Na+]
InChIInChI=1S/C4H10O2.Na.H2O4S.H/c1-4(2,3)6-5;;1-5(2,3)4;/h5H,1-3H3;;(H2,1,2,3,4);/q;+1;;-1
InChIKeyQZPRZARYSJEDHT-UHFFFAOYSA-N
XLogP-2.26
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid?
The IUPAC name of sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid (CID 173224228) is sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid.
What is the SMILES notation for sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid?
The canonical SMILES for sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid is CC(C)(C)OO.O=S(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid?
The InChIKey is QZPRZARYSJEDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.Na.H2O4S.H/c1-4(2,3)6-5;;1-5(2,3)4;/h5H,1-3H3;;(H2,1,2,3,4);/q;+1;;-1.
What are the key properties of sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid?
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid has a molecular weight of 212.20 g/mol, XLogP of -2.26, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid is sourced from PubChem (CID 173224228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).