disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate

C12H20Ag2O7S — CID 11124216

IUPACdisilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate
SMILESCCCCC(CC)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Ag+].[Ag+]
InChIInChI=1S/C12H22O7S.2Ag/c1-3-5-6-9(4-2)8-19-11(13)7-10(12(14)15)20(16,17)18;;/h9-10H,3-8H2,1-2H3,(H,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKeyBGASRHJWXOSACU-UHFFFAOYSA-L
MW524.09 g/mol
LogP-0.21
Rot. Bonds10

About disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate

disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate (PubChem CID 11124216) has the molecular formula C12H20Ag2O7S and a molecular weight of 524.09 g/mol. Its IUPAC name is disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate.

Molecular Properties

Compound Namedisilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate
PubChem CID11124216
Molecular FormulaC12H20Ag2O7S
Molecular Weight524.09 g/mol
Exact Mass521.90
IUPAC Namedisilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate
SMILESCCCCC(CC)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Ag+].[Ag+]
InChIInChI=1S/C12H22O7S.2Ag/c1-3-5-6-9(4-2)8-19-11(13)7-10(12(14)15)20(16,17)18;;/h9-10H,3-8H2,1-2H3,(H,14,15)(H,16,17,18);;/q;2*+1/p-2
InChIKeyBGASRHJWXOSACU-UHFFFAOYSA-L
XLogP-0.21
TPSA123.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.09
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

azanium 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate
CID 3015509
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;methanamine
CID 87390013
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;pentane
CID 155234916
sodium;zinc;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;sulfate
CID 173448857
sodium 4-(2-ethylhexoxy)-1-(2-ethylpentoxy)-1,4-dioxobutane-2-sulfonate
CID 58711088
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;ethanol
CID 87686282
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;ethene
CID 173092441
sodium;azane;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;butane;hydrochloride
CID 173083193
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;chromium(3+);phosphate
CID 173015726
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;phosphoric acid
CID 23689383
1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;tetrabutylazanium
CID 159642695
sodium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate;bis(2-ethylhexyl) decanedioate
CID 88821402

Frequently Asked Questions

What is the IUPAC name of disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate?
The IUPAC name of disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate (CID 11124216) is disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate.
What is the SMILES notation for disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate?
The canonical SMILES for disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate is CCCCC(CC)COC(=O)CC(C(=O)[O-])S(=O)(=O)[O-].[Ag+].[Ag+].
What is the InChIKey of disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate?
The InChIKey is BGASRHJWXOSACU-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H22O7S.2Ag/c1-3-5-6-9(4-2)8-19-11(13)7-10(12(14)15)20(16,17)18;;/h9-10H,3-8H2,1-2H3,(H,14,15)(H,16,17,18);;/q;2*+1/p-2.
What are the key properties of disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate?
disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate has a molecular weight of 524.09 g/mol, XLogP of -0.21, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;4-(2-ethylhexoxy)-4-oxo-2-sulfonatobutanoate is sourced from PubChem (CID 11124216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).