4-trimethoxysilylbutane-1-sulfinate

C7H17O5SSi- — CID 58122215

IUPAC4-trimethoxysilylbutane-1-sulfinate
SMILESCO[Si](CCCCS(=O)[O-])(OC)OC
InChIInChI=1S/C7H18O5SSi/c1-10-14(11-2,12-3)7-5-4-6-13(8)9/h4-7H2,1-3H3,(H,8,9)/p-1
InChIKeyPVOACNDFRHNMOD-UHFFFAOYSA-M
MW241.36 g/mol
LogP0.52
Rot. Bonds8

About 4-trimethoxysilylbutane-1-sulfinate

4-trimethoxysilylbutane-1-sulfinate (PubChem CID 58122215) has the molecular formula C7H17O5SSi- and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-trimethoxysilylbutane-1-sulfinate.

Molecular Properties

Compound Name4-trimethoxysilylbutane-1-sulfinate
PubChem CID58122215
Molecular FormulaC7H17O5SSi-
Molecular Weight241.36 g/mol
Exact Mass241.06
IUPAC Name4-trimethoxysilylbutane-1-sulfinate
SMILESCO[Si](CCCCS(=O)[O-])(OC)OC
InChIInChI=1S/C7H18O5SSi/c1-10-14(11-2,12-3)7-5-4-6-13(8)9/h4-7H2,1-3H3,(H,8,9)/p-1
InChIKeyPVOACNDFRHNMOD-UHFFFAOYSA-M
XLogP0.52
TPSA67.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.52
H-Bond Donors ≤ 50
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': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
3-[chloro(dimethyl)silyl]propane-1-sulfinate
CID 25234185
trimethoxy-[3-[methyl-bis(3-trimethoxysilylpropyl)silyl]propyl]silane
CID 87832175
lithium octadecane-1-sulfinate
CID 23714371
sodium nonane-1-sulfinate
CID 86740195
silver dodecane-1-sulfinate
CID 86740193
azane;trimethoxy(pentyl)silane
CID 19608931
4-bromobutyl(trimethoxy)silane
CID 15433593
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dimethoxy-methyl-(4-trimethoxysilylbutyl)silane
CID 87101984
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936

Frequently Asked Questions

What is the IUPAC name of 4-trimethoxysilylbutane-1-sulfinate?
The IUPAC name of 4-trimethoxysilylbutane-1-sulfinate (CID 58122215) is 4-trimethoxysilylbutane-1-sulfinate.
What is the SMILES notation for 4-trimethoxysilylbutane-1-sulfinate?
The canonical SMILES for 4-trimethoxysilylbutane-1-sulfinate is CO[Si](CCCCS(=O)[O-])(OC)OC.
What is the InChIKey of 4-trimethoxysilylbutane-1-sulfinate?
The InChIKey is PVOACNDFRHNMOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18O5SSi/c1-10-14(11-2,12-3)7-5-4-6-13(8)9/h4-7H2,1-3H3,(H,8,9)/p-1.
What are the key properties of 4-trimethoxysilylbutane-1-sulfinate?
4-trimethoxysilylbutane-1-sulfinate has a molecular weight of 241.36 g/mol, XLogP of 0.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethoxysilylbutane-1-sulfinate is sourced from PubChem (CID 58122215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).