potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride

C11H15KO7S — CID 173316311

IUPACpotassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride
SMILESCCOC(=O)COc1ccc(S(=O)(=O)O)c(OC)c1.[H-].[K+]
InChIInChI=1S/C11H14O7S.K.H/c1-3-17-11(12)7-18-8-4-5-10(19(13,14)15)9(6-8)16-2;;/h4-6H,3,7H2,1-2H3,(H,13,14,15);;/q;+1;-1
InChIKeyUSUPKGFFRHKCRW-UHFFFAOYSA-N
MW330.40 g/mol
LogP-2.00
Rot. Bonds6

About potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride

potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride (PubChem CID 173316311) has the molecular formula C11H15KO7S and a molecular weight of 330.40 g/mol. Its IUPAC name is potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride
PubChem CID173316311
Molecular FormulaC11H15KO7S
Molecular Weight330.40 g/mol
Exact Mass330.02
IUPAC Namepotassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride
SMILESCCOC(=O)COc1ccc(S(=O)(=O)O)c(OC)c1.[H-].[K+]
InChIInChI=1S/C11H14O7S.K.H/c1-3-17-11(12)7-18-8-4-5-10(19(13,14)15)9(6-8)16-2;;/h4-6H,3,7H2,1-2H3,(H,13,14,15);;/q;+1;-1
InChIKeyUSUPKGFFRHKCRW-UHFFFAOYSA-N
XLogP-2.00
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 5-2.00
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

ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate
CID 71378315
ethyl 2-[4-(2-bromoethyl)-3-methoxyphenoxy]acetate
CID 18620082
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
CID 46547637
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
2,4-dibutoxybenzenesulfonic acid
CID 23120668
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178

Frequently Asked Questions

What is the IUPAC name of potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride?
The IUPAC name of potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride (CID 173316311) is potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride.
What is the SMILES notation for potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride?
The canonical SMILES for potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride is CCOC(=O)COc1ccc(S(=O)(=O)O)c(OC)c1.[H-].[K+].
What is the InChIKey of potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride?
The InChIKey is USUPKGFFRHKCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O7S.K.H/c1-3-17-11(12)7-18-8-4-5-10(19(13,14)15)9(6-8)16-2;;/h4-6H,3,7H2,1-2H3,(H,13,14,15);;/q;+1;-1.
What are the key properties of potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride?
potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride has a molecular weight of 330.40 g/mol, XLogP of -2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride is sourced from PubChem (CID 173316311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).