potassium 2-ethylhexyl sulfite

C8H17KO3S — CID 174977915

IUPACpotassium 2-ethylhexyl sulfite
SMILESCCCCC(CC)COS(=O)[O-].[K+]
InChIInChI=1S/C8H18O3S.K/c1-3-5-6-8(4-2)7-11-12(9)10;/h8H,3-7H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyPYEBMWDTDCRZEH-UHFFFAOYSA-M
MW232.39 g/mol
LogP-0.98
Rot. Bonds7

About potassium 2-ethylhexyl sulfite

potassium 2-ethylhexyl sulfite (PubChem CID 174977915) has the molecular formula C8H17KO3S and a molecular weight of 232.39 g/mol. Its IUPAC name is potassium 2-ethylhexyl sulfite.

Molecular Properties

Compound Namepotassium 2-ethylhexyl sulfite
PubChem CID174977915
Molecular FormulaC8H17KO3S
Molecular Weight232.39 g/mol
Exact Mass232.05
IUPAC Namepotassium 2-ethylhexyl sulfite
SMILESCCCCC(CC)COS(=O)[O-].[K+]
InChIInChI=1S/C8H18O3S.K/c1-3-5-6-8(4-2)7-11-12(9)10;/h8H,3-7H2,1-2H3,(H,9,10);/q;+1/p-1
InChIKeyPYEBMWDTDCRZEH-UHFFFAOYSA-M
XLogP-0.98
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl sulfite;λ2-plumbane
CID 174562769
sodium;2-ethylhexyl sulfite;hydride
CID 174362905
disilver;2-(2-ethylhexoxyimino)propanedioate
CID 118523475
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-ethylhexyl 4-methylbenzenesulfinate
CID 132580944
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
potassium 2-ethylhexyl hydrogen phosphate
CID 23690393
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
potassium;3-(oxidooxymethyl)octane;propane
CID 153365242
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867
magnesium bis(2-ethylhexyl) phosphate
CID 23071492

Frequently Asked Questions

What is the IUPAC name of potassium 2-ethylhexyl sulfite?
The IUPAC name of potassium 2-ethylhexyl sulfite (CID 174977915) is potassium 2-ethylhexyl sulfite.
What is the SMILES notation for potassium 2-ethylhexyl sulfite?
The canonical SMILES for potassium 2-ethylhexyl sulfite is CCCCC(CC)COS(=O)[O-].[K+].
What is the InChIKey of potassium 2-ethylhexyl sulfite?
The InChIKey is PYEBMWDTDCRZEH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18O3S.K/c1-3-5-6-8(4-2)7-11-12(9)10;/h8H,3-7H2,1-2H3,(H,9,10);/q;+1/p-1.
What are the key properties of potassium 2-ethylhexyl sulfite?
potassium 2-ethylhexyl sulfite has a molecular weight of 232.39 g/mol, XLogP of -0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-ethylhexyl sulfite is sourced from PubChem (CID 174977915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).