potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate

C15H33KO4S — CID 174767901

IUPACpotassium;hydride;3-hydroxypropyl dodecane-1-sulfonate
SMILESCCCCCCCCCCCCS(=O)(=O)OCCCO.[H-].[K+]
InChIInChI=1S/C15H32O4S.K.H/c1-2-3-4-5-6-7-8-9-10-11-15-20(17,18)19-14-12-13-16;;/h16H,2-15H2,1H3;;/q;+1;-1
InChIKeyKODQXGINELVXQT-UHFFFAOYSA-N
MW348.59 g/mol
LogP0.75
Rot. Bonds15

About potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate

potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate (PubChem CID 174767901) has the molecular formula C15H33KO4S and a molecular weight of 348.59 g/mol. Its IUPAC name is potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate.

Molecular Properties

Compound Namepotassium;hydride;3-hydroxypropyl dodecane-1-sulfonate
PubChem CID174767901
Molecular FormulaC15H33KO4S
Molecular Weight348.59 g/mol
Exact Mass348.17
IUPAC Namepotassium;hydride;3-hydroxypropyl dodecane-1-sulfonate
SMILESCCCCCCCCCCCCS(=O)(=O)OCCCO.[H-].[K+]
InChIInChI=1S/C15H32O4S.K.H/c1-2-3-4-5-6-7-8-9-10-11-15-20(17,18)19-14-12-13-16;;/h16H,2-15H2,1H3;;/q;+1;-1
InChIKeyKODQXGINELVXQT-UHFFFAOYSA-N
XLogP0.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.59
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium;docosyl dodecane-1-sulfonate;hydride
CID 175529583
sodium;dodecyl dodecane-1-sulfonate;hydride
CID 173412945
magnesium;hydride;nonyl nonane-1-sulfonate
CID 174803071
tridecyl tridecane-1-sulfonate
CID 123645713
hexadecyl octane-1-sulfonate
CID 172859291
azane;henicosyl dodecane-1-sulfonate
CID 175159978
CID 87587825
CID 87587825
butyl pentane-1-sulfonate
CID 87956203
pentyl 2-hydroxyethanesulfonate
CID 87090117
hydroxymethyl heptane-1-sulfonate
CID 174685391
octyl propane-1-sulfonate
CID 19702367
henicosyl 12-fluorododecane-1-sulfonate
CID 175160167

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate?
The IUPAC name of potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate (CID 174767901) is potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate.
What is the SMILES notation for potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate?
The canonical SMILES for potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate is CCCCCCCCCCCCS(=O)(=O)OCCCO.[H-].[K+].
What is the InChIKey of potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate?
The InChIKey is KODQXGINELVXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4S.K.H/c1-2-3-4-5-6-7-8-9-10-11-15-20(17,18)19-14-12-13-16;;/h16H,2-15H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate?
potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate has a molecular weight of 348.59 g/mol, XLogP of 0.75, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-hydroxypropyl dodecane-1-sulfonate is sourced from PubChem (CID 174767901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).