potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid

C9H17KO5S — CID 174777701

IUPACpotassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid
SMILESC=C(CCCS(=O)(=O)O)C(=O)OCCC.[H-].[K+]
InChIInChI=1S/C9H16O5S.K.H/c1-3-6-14-9(10)8(2)5-4-7-15(11,12)13;;/h2-7H2,1H3,(H,11,12,13);;/q;+1;-1
InChIKeyGYISNLUAQOTOHP-UHFFFAOYSA-N
MW276.39 g/mol
LogP-1.72
Rot. Bonds7

About potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid

potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid (PubChem CID 174777701) has the molecular formula C9H17KO5S and a molecular weight of 276.39 g/mol. Its IUPAC name is potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid.

Molecular Properties

Compound Namepotassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid
PubChem CID174777701
Molecular FormulaC9H17KO5S
Molecular Weight276.39 g/mol
Exact Mass276.04
IUPAC Namepotassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid
SMILESC=C(CCCS(=O)(=O)O)C(=O)OCCC.[H-].[K+]
InChIInChI=1S/C9H16O5S.K.H/c1-3-6-14-9(10)8(2)5-4-7-15(11,12)13;;/h2-7H2,1H3,(H,11,12,13);;/q;+1;-1
InChIKeyGYISNLUAQOTOHP-UHFFFAOYSA-N
XLogP-1.72
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylidenepentanoyloxy)propane-1-sulfonic acid
CID 157101468
2-methylprop-2-enoic acid;4-(3-sulfopropoxycarbonyl)pent-4-ene-1-sulfonic acid
CID 154927960
4-ethylperoxycarbonylpent-4-ene-1-sulfonic acid
CID 22177281
2-methylidenehexanoyloxymethanesulfonic acid
CID 174638144
nonyl 2-methylideneundecanoate
CID 142441213
heptyl 2-methylideneundecanoate
CID 176549260
octadecyl 2-methylideneicosanoate
CID 57219526
butyl 2-methylideneoctanoate
CID 23364330
potassium;hydride;2-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 173327634
2-aminoethyl 2-methylidenehexanoate
CID 54444822
2-methylidene-5-sulfopentanoic acid
CID 158153220
dodecyl 4-hydroxy-2-methylidenebutanoate
CID 161475812

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid?
The IUPAC name of potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid (CID 174777701) is potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid.
What is the SMILES notation for potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid?
The canonical SMILES for potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid is C=C(CCCS(=O)(=O)O)C(=O)OCCC.[H-].[K+].
What is the InChIKey of potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid?
The InChIKey is GYISNLUAQOTOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5S.K.H/c1-3-6-14-9(10)8(2)5-4-7-15(11,12)13;;/h2-7H2,1H3,(H,11,12,13);;/q;+1;-1.
What are the key properties of potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid?
potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid has a molecular weight of 276.39 g/mol, XLogP of -1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;4-propoxycarbonylpent-4-ene-1-sulfonic acid is sourced from PubChem (CID 174777701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).