potassium;dimethyl sulfate;hydroxide

C2H7KO5S — CID 88595452

IUPACpotassium;dimethyl sulfate;hydroxide
SMILESCOS(=O)(=O)OC.[K+].[OH-]
InChIInChI=1S/C2H6O4S.K.H2O/c1-5-7(3,4)6-2;;/h1-2H3;;1H2/q;+1;/p-1
InChIKeyANYUMTUMGONNAV-UHFFFAOYSA-M
MW182.24 g/mol
LogP-3.65
Rot. Bonds2

About potassium;dimethyl sulfate;hydroxide

potassium;dimethyl sulfate;hydroxide (PubChem CID 88595452) has the molecular formula C2H7KO5S and a molecular weight of 182.24 g/mol. Its IUPAC name is potassium;dimethyl sulfate;hydroxide.

Molecular Properties

Compound Namepotassium;dimethyl sulfate;hydroxide
PubChem CID88595452
Molecular FormulaC2H7KO5S
Molecular Weight182.24 g/mol
Exact Mass181.97
IUPAC Namepotassium;dimethyl sulfate;hydroxide
SMILESCOS(=O)(=O)OC.[K+].[OH-]
InChIInChI=1S/C2H6O4S.K.H2O/c1-5-7(3,4)6-2;;/h1-2H3;;1H2/q;+1;/p-1
InChIKeyANYUMTUMGONNAV-UHFFFAOYSA-M
XLogP-3.65
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-3.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of potassium;dimethyl sulfate;hydroxide?
The IUPAC name of potassium;dimethyl sulfate;hydroxide (CID 88595452) is potassium;dimethyl sulfate;hydroxide.
What is the SMILES notation for potassium;dimethyl sulfate;hydroxide?
The canonical SMILES for potassium;dimethyl sulfate;hydroxide is COS(=O)(=O)OC.[K+].[OH-].
What is the InChIKey of potassium;dimethyl sulfate;hydroxide?
The InChIKey is ANYUMTUMGONNAV-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H6O4S.K.H2O/c1-5-7(3,4)6-2;;/h1-2H3;;1H2/q;+1;/p-1.
What are the key properties of potassium;dimethyl sulfate;hydroxide?
potassium;dimethyl sulfate;hydroxide has a molecular weight of 182.24 g/mol, XLogP of -3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dimethyl sulfate;hydroxide is sourced from PubChem (CID 88595452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).