potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate

C8H19KO3S — CID 175022763

IUPACpotassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate
SMILESCC(C)COS(=O)(=O)CC(C)C.[H-].[K+]
InChIInChI=1S/C8H18O3S.K.H/c1-7(2)5-11-12(9,10)6-8(3)4;;/h7-8H,5-6H2,1-4H3;;/q;+1;-1
InChIKeyQOKHHQYUNPYAFK-UHFFFAOYSA-N
MW234.40 g/mol
LogP-1.24
Rot. Bonds5

About potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate

potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate (PubChem CID 175022763) has the molecular formula C8H19KO3S and a molecular weight of 234.40 g/mol. Its IUPAC name is potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate.

Molecular Properties

Compound Namepotassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate
PubChem CID175022763
Molecular FormulaC8H19KO3S
Molecular Weight234.40 g/mol
Exact Mass234.07
IUPAC Namepotassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate
SMILESCC(C)COS(=O)(=O)CC(C)C.[H-].[K+]
InChIInChI=1S/C8H18O3S.K.H/c1-7(2)5-11-12(9,10)6-8(3)4;;/h7-8H,5-6H2,1-4H3;;/q;+1;-1
InChIKeyQOKHHQYUNPYAFK-UHFFFAOYSA-N
XLogP-1.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.40
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl methylsulfonylmethanesulfonate
CID 177304601
2-methylpropyl octane-1-sulfonate
CID 174665705
2-methylpropyl sulfamate
CID 10219546
lithium 2-methylpropyl sulfate
CID 158872210
2-methylpropyl trifluoromethanesulfonate
CID 639197
2-methylpropyl 2-prop-2-enoxyethanesulfonate
CID 140861865
2-(2,2-difluoroethylsulfonyloxy)propyl 2,2-difluoroethanesulfonate
CID 87128232
bis(2-methylpropyl)alumanyl 2-methylpropane-1-sulfonate
CID 139725086
sodium;2-aminopropyl hydroxymethanesulfonate;hydride
CID 173101119
2-methylpropyl 2-(1-adamantyl)ethanesulfonate
CID 157315712
ethyl 2-hydroxypropane-1-sulfonate
CID 87391609
2-methylpropane-1-sulfonamide
CID 10197726

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate?
The IUPAC name of potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate (CID 175022763) is potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate.
What is the SMILES notation for potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate?
The canonical SMILES for potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate is CC(C)COS(=O)(=O)CC(C)C.[H-].[K+].
What is the InChIKey of potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate?
The InChIKey is QOKHHQYUNPYAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S.K.H/c1-7(2)5-11-12(9,10)6-8(3)4;;/h7-8H,5-6H2,1-4H3;;/q;+1;-1.
What are the key properties of potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate?
potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate has a molecular weight of 234.40 g/mol, XLogP of -1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-methylpropyl 2-methylpropane-1-sulfonate is sourced from PubChem (CID 175022763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).