potassium;hydride;propylsulfonyl but-2-enoate

C7H13KO4S — CID 173292643

IUPACpotassium;hydride;propylsulfonyl but-2-enoate
SMILESCC=CC(=O)OS(=O)(=O)CCC.[H-].[K+]
InChIInChI=1S/C7H12O4S.K.H/c1-3-5-7(8)11-12(9,10)6-4-2;;/h3,5H,4,6H2,1-2H3;;/q;+1;-1
InChIKeyCESWIMYEQQIHCJ-UHFFFAOYSA-N
MW232.34 g/mol
LogP-2.04
Rot. Bonds4

About potassium;hydride;propylsulfonyl but-2-enoate

potassium;hydride;propylsulfonyl but-2-enoate (PubChem CID 173292643) has the molecular formula C7H13KO4S and a molecular weight of 232.34 g/mol. Its IUPAC name is potassium;hydride;propylsulfonyl but-2-enoate.

Molecular Properties

Compound Namepotassium;hydride;propylsulfonyl but-2-enoate
PubChem CID173292643
Molecular FormulaC7H13KO4S
Molecular Weight232.34 g/mol
Exact Mass232.02
IUPAC Namepotassium;hydride;propylsulfonyl but-2-enoate
SMILESCC=CC(=O)OS(=O)(=O)CCC.[H-].[K+]
InChIInChI=1S/C7H12O4S.K.H/c1-3-5-7(8)11-12(9,10)6-4-2;;/h3,5H,4,6H2,1-2H3;;/q;+1;-1
InChIKeyCESWIMYEQQIHCJ-UHFFFAOYSA-N
XLogP-2.04
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 5-2.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;hydride;propylsulfonyl but-2-enoate?
The IUPAC name of potassium;hydride;propylsulfonyl but-2-enoate (CID 173292643) is potassium;hydride;propylsulfonyl but-2-enoate.
What is the SMILES notation for potassium;hydride;propylsulfonyl but-2-enoate?
The canonical SMILES for potassium;hydride;propylsulfonyl but-2-enoate is CC=CC(=O)OS(=O)(=O)CCC.[H-].[K+].
What is the InChIKey of potassium;hydride;propylsulfonyl but-2-enoate?
The InChIKey is CESWIMYEQQIHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S.K.H/c1-3-5-7(8)11-12(9,10)6-4-2;;/h3,5H,4,6H2,1-2H3;;/q;+1;-1.
What are the key properties of potassium;hydride;propylsulfonyl but-2-enoate?
potassium;hydride;propylsulfonyl but-2-enoate has a molecular weight of 232.34 g/mol, XLogP of -2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;propylsulfonyl but-2-enoate is sourced from PubChem (CID 173292643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).