sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid

C7H19NaO5S — CID 174952019

IUPACsodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
SMILESCCC(O)S(=O)(=O)O.CCOCC.[H-].[Na+]
InChIInChI=1S/C4H10O.C3H8O4S.Na.H/c1-3-5-4-2;1-2-3(4)8(5,6)7;;/h3-4H2,1-2H3;3-4H,2H2,1H3,(H,5,6,7);;/q;;+1;-1
InChIKeyQIFIIGQRIILHSX-UHFFFAOYSA-N
MW238.28 g/mol
LogP-2.24
Rot. Bonds4

About sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid

sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid (PubChem CID 174952019) has the molecular formula C7H19NaO5S and a molecular weight of 238.28 g/mol. Its IUPAC name is sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid.

Molecular Properties

Compound Namesodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
PubChem CID174952019
Molecular FormulaC7H19NaO5S
Molecular Weight238.28 g/mol
Exact Mass238.09
IUPAC Namesodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
SMILESCCC(O)S(=O)(=O)O.CCOCC.[H-].[Na+]
InChIInChI=1S/C4H10O.C3H8O4S.Na.H/c1-3-5-4-2;1-2-3(4)8(5,6)7;;/h3-4H2,1-2H3;3-4H,2H2,1H3,(H,5,6,7);;/q;;+1;-1
InChIKeyQIFIIGQRIILHSX-UHFFFAOYSA-N
XLogP-2.24
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 5-2.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

calcium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid
CID 174816191
sodium;ethoxyethane;hydride;propane-1-sulfonic acid
CID 174886586
sodium;1,3-dihydroxypropane-1,3-disulfonic acid;hydride
CID 173490221
(4S)-4-methylhexane-3-sulfonic acid
CID 118543691
4-methylhexane-3-sulfonic acid
CID 175310277
1,1,2-trihydroxypentane-3-sulfonic acid
CID 174997818
disodium;ethoxyethane;sulfate
CID 158792070
sodium;2-amino-1-hydroxyethanesulfonic acid;hydride
CID 175556811
sodium 1-hydroxypropane-1-sulfonate
CID 23690802
lithium;alumane;ethoxyethane;hydride
CID 173476606
calcium;sodium;ethoxyethane;hydride
CID 173354921
heptadecasodium;(dihydroxy(oxo)phosphanium);ethoxyethane;hydride
CID 173371191

Frequently Asked Questions

What is the IUPAC name of sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid?
The IUPAC name of sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid (CID 174952019) is sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid.
What is the SMILES notation for sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid?
The canonical SMILES for sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid is CCC(O)S(=O)(=O)O.CCOCC.[H-].[Na+].
What is the InChIKey of sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid?
The InChIKey is QIFIIGQRIILHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C3H8O4S.Na.H/c1-3-5-4-2;1-2-3(4)8(5,6)7;;/h3-4H2,1-2H3;3-4H,2H2,1H3,(H,5,6,7);;/q;;+1;-1.
What are the key properties of sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid?
sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid has a molecular weight of 238.28 g/mol, XLogP of -2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxyethane;hydride;1-hydroxypropane-1-sulfonic acid is sourced from PubChem (CID 174952019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).