3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium

C8H22NO6SSi+ — CID 123400119

IUPAC3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium
SMILESC[N+](C)(CCCO[SiH](O)O)CCCS(=O)(=O)O
InChIInChI=1S/C8H21NO6SSi/c1-9(2,5-3-7-15-17(13)14)6-4-8-16(10,11)12/h13-14,17H,3-8H2,1-2H3/p+1
InChIKeyRLKAFWFSHLHEOZ-UHFFFAOYSA-O
MW288.42 g/mol
LogP-1.55
Rot. Bonds9

About 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium

3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium (PubChem CID 123400119) has the molecular formula C8H22NO6SSi+ and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium.

Molecular Properties

Compound Name3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium
PubChem CID123400119
Molecular FormulaC8H22NO6SSi+
Molecular Weight288.42 g/mol
Exact Mass288.09
IUPAC Name3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium
SMILESC[N+](C)(CCCO[SiH](O)O)CCCS(=O)(=O)O
InChIInChI=1S/C8H21NO6SSi/c1-9(2,5-3-7-15-17(13)14)6-4-8-16(10,11)12/h13-14,17H,3-8H2,1-2H3/p+1
InChIKeyRLKAFWFSHLHEOZ-UHFFFAOYSA-O
XLogP-1.55
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

12-[dimethyl(4-sulfobutyl)azaniumyl]dodecyl-dimethyl-(4-sulfobutyl)azanium
CID 10649858
2-acetyloxyethyl-dimethyl-(3-sulfopropyl)azanium
CID 58841216
12-[dimethyl(3-sulfopropyl)azaniumyl]dodecyl-dodecyl-dimethylazanium
CID 15497410
8-[dimethyl(3-sulfopropyl)azaniumyl]octyl-dodecyl-dimethylazanium
CID 11753426
ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
CID 22486480
dimethyl-(3-sulfopropyl)-(3-trimethylsilylpropyl)azanium
CID 160815943
(4-amino-4-oxobutyl)-dimethyl-(3-sulfopropyl)azanium
CID 122550419
dimethyl-[2-(methylcarbamoyloxy)ethyl]-(3-sulfopropyl)azanium
CID 162702755
dimethyl-(3-prop-2-enoyloxypropyl)-(7-sulfoheptyl)azanium
CID 118143331
2-(2,2-dimethylbutanoyloxy)ethyl-dimethyl-(3-sulfopropyl)azanium
CID 59513010
butyl-[2-[2-[dimethyl(3-sulfopropyl)azaniumyl]ethyldisulfanyl]ethyl]-dimethylazanium
CID 88530452
3-[[2-(2-ethoxyethoxy)acetyl]amino]propyl-dimethyl-(3-sulfopropyl)azanium
CID 153279829

Frequently Asked Questions

What is the IUPAC name of 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium?
The IUPAC name of 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium (CID 123400119) is 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium.
What is the SMILES notation for 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium?
The canonical SMILES for 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium is C[N+](C)(CCCO[SiH](O)O)CCCS(=O)(=O)O.
What is the InChIKey of 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium?
The InChIKey is RLKAFWFSHLHEOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H21NO6SSi/c1-9(2,5-3-7-15-17(13)14)6-4-8-16(10,11)12/h13-14,17H,3-8H2,1-2H3/p+1.
What are the key properties of 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium?
3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium has a molecular weight of 288.42 g/mol, XLogP of -1.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dihydroxysilyloxypropyl-dimethyl-(3-sulfopropyl)azanium is sourced from PubChem (CID 123400119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).