disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate

C20H36Ag2O7S — CID 87325770

IUPACdisilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate
SMILESCCCCC(CC)CC(C(=O)[O-])C(CC(CC)CCCC)(C(=O)[O-])S(=O)(=O)O.[Ag+].[Ag+]
InChIInChI=1S/C20H38O7S.2Ag/c1-5-9-11-15(7-3)13-17(18(21)22)20(19(23)24,28(25,26)27)14-16(8-4)12-10-6-2;;/h15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKeyZNBCTNUEGHLJAY-UHFFFAOYSA-L
MW636.30 g/mol
LogP1.94
Rot. Bonds16

About disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate

disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate (PubChem CID 87325770) has the molecular formula C20H36Ag2O7S and a molecular weight of 636.30 g/mol. Its IUPAC name is disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate.

Molecular Properties

Compound Namedisilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate
PubChem CID87325770
Molecular FormulaC20H36Ag2O7S
Molecular Weight636.30 g/mol
Exact Mass634.03
IUPAC Namedisilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate
SMILESCCCCC(CC)CC(C(=O)[O-])C(CC(CC)CCCC)(C(=O)[O-])S(=O)(=O)O.[Ag+].[Ag+]
InChIInChI=1S/C20H38O7S.2Ag/c1-5-9-11-15(7-3)13-17(18(21)22)20(19(23)24,28(25,26)27)14-16(8-4)12-10-6-2;;/h15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27);;/q;2*+1/p-2
InChIKeyZNBCTNUEGHLJAY-UHFFFAOYSA-L
XLogP1.94
TPSA134.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;3-(2-ethylhexyl)-2-prop-2-enyl-2-sulfobutanedioate
CID 87554354
5-ethyl-3-(2-ethylhexoxycarbonyl)-2-(2-ethylhexyl)-3-sulfononanoic acid
CID 175565201
trisodium;2,2-bis(2-ethylhexyl)-3-sulfonatobutanedioate
CID 22320804
tetrakis(4-ethyl-2-sulfanyloctanoate);tin(4+)
CID 158685009
disodium;2,2-bis(2-ethylhexyl)decanedioate
CID 129218641
6-ethyldecane-4-sulfonic acid
CID 142743561
sodium 3-(2-ethylhexylamino)-2-sulfopropanoate
CID 88789387
4-ethyl-2-(sulfanylmethyl)octanoate;trimethylstannanylium
CID 88795386
zinc bis(3-ethylheptanoate)
CID 159696376
lithium;potassium;2-(2-ethylpentyl)propanedioate
CID 139411964
2-chloro-4-ethyloctanamide
CID 151338743
2-(2-ethylhexyl)-2-methylpropanedioyl dichloride
CID 59838559

Frequently Asked Questions

What is the IUPAC name of disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate?
The IUPAC name of disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate (CID 87325770) is disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate.
What is the SMILES notation for disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate?
The canonical SMILES for disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate is CCCCC(CC)CC(C(=O)[O-])C(CC(CC)CCCC)(C(=O)[O-])S(=O)(=O)O.[Ag+].[Ag+].
What is the InChIKey of disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate?
The InChIKey is ZNBCTNUEGHLJAY-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H38O7S.2Ag/c1-5-9-11-15(7-3)13-17(18(21)22)20(19(23)24,28(25,26)27)14-16(8-4)12-10-6-2;;/h15-17H,5-14H2,1-4H3,(H,21,22)(H,23,24)(H,25,26,27);;/q;2*+1/p-2.
What are the key properties of disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate?
disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate has a molecular weight of 636.30 g/mol, XLogP of 1.94, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disilver;2,3-bis(2-ethylhexyl)-2-sulfobutanedioate is sourced from PubChem (CID 87325770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).