sodium;2-ethylhexyl sulfite;hydride

C8H18NaO3S- — CID 174362905

IUPACsodium;2-ethylhexyl sulfite;hydride
SMILESCCCCC(CC)COS(=O)[O-].[H-].[Na+]
InChIInChI=1S/C8H18O3S.Na.H/c1-3-5-6-8(4-2)7-11-12(9)10;;/h8H,3-7H2,1-2H3,(H,9,10);;/q;+1;-1/p-1
InChIKeyCFIXHKYBXPQDLC-UHFFFAOYSA-M
MW217.29 g/mol
LogP-0.87
Rot. Bonds7

About sodium;2-ethylhexyl sulfite;hydride

sodium;2-ethylhexyl sulfite;hydride (PubChem CID 174362905) has the molecular formula C8H18NaO3S- and a molecular weight of 217.29 g/mol. Its IUPAC name is sodium;2-ethylhexyl sulfite;hydride.

Molecular Properties

Compound Namesodium;2-ethylhexyl sulfite;hydride
PubChem CID174362905
Molecular FormulaC8H18NaO3S-
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Namesodium;2-ethylhexyl sulfite;hydride
SMILESCCCCC(CC)COS(=O)[O-].[H-].[Na+]
InChIInChI=1S/C8H18O3S.Na.H/c1-3-5-6-8(4-2)7-11-12(9)10;;/h8H,3-7H2,1-2H3,(H,9,10);;/q;+1;-1/p-1
InChIKeyCFIXHKYBXPQDLC-UHFFFAOYSA-M
XLogP-0.87
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-0.87
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

potassium 2-ethylhexyl sulfite
CID 174977915
2-ethylhexyl sulfite;λ2-plumbane
CID 174562769
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
sodium 1-(2-butylhexoxy)-4-(2-ethylhexoxy)-1,4-dioxobutane-2-sulfinate
CID 59079319
2-ethylhexyl 4-methylbenzenesulfinate
CID 132580944
disilver;2-(2-ethylhexoxyimino)propanedioate
CID 118523475
sodium;2-ethylhexyl dihydrogen phosphate;hydride
CID 173063880
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
[(2S)-2-ethylhexoxy]-[(2R)-2-ethylhexoxy]-oxophosphanium
CID 93476742
bis(2-ethylhexyl) phosphate;cobalt
CID 174438001
magnesium bis(2-ethylhexyl) phosphate
CID 23071492
tris(bis(2-ethylhexyl) phosphate);lanthanum(3+)
CID 18461867

Frequently Asked Questions

What is the IUPAC name of sodium;2-ethylhexyl sulfite;hydride?
The IUPAC name of sodium;2-ethylhexyl sulfite;hydride (CID 174362905) is sodium;2-ethylhexyl sulfite;hydride.
What is the SMILES notation for sodium;2-ethylhexyl sulfite;hydride?
The canonical SMILES for sodium;2-ethylhexyl sulfite;hydride is CCCCC(CC)COS(=O)[O-].[H-].[Na+].
What is the InChIKey of sodium;2-ethylhexyl sulfite;hydride?
The InChIKey is CFIXHKYBXPQDLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18O3S.Na.H/c1-3-5-6-8(4-2)7-11-12(9)10;;/h8H,3-7H2,1-2H3,(H,9,10);;/q;+1;-1/p-1.
What are the key properties of sodium;2-ethylhexyl sulfite;hydride?
sodium;2-ethylhexyl sulfite;hydride has a molecular weight of 217.29 g/mol, XLogP of -0.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-ethylhexyl sulfite;hydride is sourced from PubChem (CID 174362905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).