potassium;hydride;(4-pentadecylphenyl) sulfite

C21H36KO3S- — CID 174478368

IUPACpotassium;hydride;(4-pentadecylphenyl) sulfite
SMILESCCCCCCCCCCCCCCCc1ccc(OS(=O)[O-])cc1.[H-].[K+]
InChIInChI=1S/C21H36O3S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21(19-17-20)24-25(22)23;;/h16-19H,2-15H2,1H3,(H,22,23);;/q;+1;-1/p-1
InChIKeyLEFASOGJLNYRDM-UHFFFAOYSA-M
MW407.68 g/mol
LogP3.61
Rot. Bonds16

About potassium;hydride;(4-pentadecylphenyl) sulfite

potassium;hydride;(4-pentadecylphenyl) sulfite (PubChem CID 174478368) has the molecular formula C21H36KO3S- and a molecular weight of 407.68 g/mol. Its IUPAC name is potassium;hydride;(4-pentadecylphenyl) sulfite.

Molecular Properties

Compound Namepotassium;hydride;(4-pentadecylphenyl) sulfite
PubChem CID174478368
Molecular FormulaC21H36KO3S-
Molecular Weight407.68 g/mol
Exact Mass407.20
IUPAC Namepotassium;hydride;(4-pentadecylphenyl) sulfite
SMILESCCCCCCCCCCCCCCCc1ccc(OS(=O)[O-])cc1.[H-].[K+]
InChIInChI=1S/C21H36O3S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21(19-17-20)24-25(22)23;;/h16-19H,2-15H2,1H3,(H,22,23);;/q;+1;-1/p-1
InChIKeyLEFASOGJLNYRDM-UHFFFAOYSA-M
XLogP3.61
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.68
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-decylphenyl) sulfite
CID 57132497
(4-heptadecylphenyl) sulfite
CID 66608817
lithium (4-dodecylphenyl) sulfite
CID 175083006
(6-tridecylnaphthalen-2-yl) sulfite
CID 174869132
(4-octadecylphenyl) hydrogen sulfite
CID 66609171
(4-pentylphenyl) hydrogen sulfite
CID 57203177
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
sodium 4-octylbenzenesulfinate
CID 23714330
4-pentylbenzenesulfinate
CID 18761763
(4-octylphenoxy)-oxophosphanium
CID 123939155
sodium 4-pentylbenzenesulfinate
CID 23714332
sodium;hydrogen sulfite;4-nonylphenol
CID 174890195

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;(4-pentadecylphenyl) sulfite?
The IUPAC name of potassium;hydride;(4-pentadecylphenyl) sulfite (CID 174478368) is potassium;hydride;(4-pentadecylphenyl) sulfite.
What is the SMILES notation for potassium;hydride;(4-pentadecylphenyl) sulfite?
The canonical SMILES for potassium;hydride;(4-pentadecylphenyl) sulfite is CCCCCCCCCCCCCCCc1ccc(OS(=O)[O-])cc1.[H-].[K+].
What is the InChIKey of potassium;hydride;(4-pentadecylphenyl) sulfite?
The InChIKey is LEFASOGJLNYRDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H36O3S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18-21(19-17-20)24-25(22)23;;/h16-19H,2-15H2,1H3,(H,22,23);;/q;+1;-1/p-1.
What are the key properties of potassium;hydride;(4-pentadecylphenyl) sulfite?
potassium;hydride;(4-pentadecylphenyl) sulfite has a molecular weight of 407.68 g/mol, XLogP of 3.61, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;(4-pentadecylphenyl) sulfite is sourced from PubChem (CID 174478368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).