3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol

C16H42O3S4Si4 — CID 123346721

IUPAC3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol
SMILESC[Si](C)(CCCS)O[Si](C)(CCCS)O[Si](C)(CCCS)O[SiH2]CCCS
InChIInChI=1S/C16H42O3S4Si4/c1-25(2,14-6-10-21)18-27(4,16-8-12-23)19-26(3,15-7-11-22)17-24-13-5-9-20/h20-23H,5-16,24H2,1-4H3
InChIKeyATPIPQFHFILMMJ-UHFFFAOYSA-N
MW523.12 g/mol
LogP5.17
Rot. Bonds18

About 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol

3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol (PubChem CID 123346721) has the molecular formula C16H42O3S4Si4 and a molecular weight of 523.12 g/mol. Its IUPAC name is 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol.

Molecular Properties

Compound Name3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol
PubChem CID123346721
Molecular FormulaC16H42O3S4Si4
Molecular Weight523.12 g/mol
Exact Mass522.11
IUPAC Name3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol
SMILESC[Si](C)(CCCS)O[Si](C)(CCCS)O[Si](C)(CCCS)O[SiH2]CCCS
InChIInChI=1S/C16H42O3S4Si4/c1-25(2,14-6-10-21)18-27(4,16-8-12-23)19-26(3,15-7-11-22)17-24-13-5-9-20/h20-23H,5-16,24H2,1-4H3
InChIKeyATPIPQFHFILMMJ-UHFFFAOYSA-N
XLogP5.17
TPSA27.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.12
LogP ≤ 55.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol?
The IUPAC name of 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol (CID 123346721) is 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol.
What is the SMILES notation for 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol?
The canonical SMILES for 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol is C[Si](C)(CCCS)O[Si](C)(CCCS)O[Si](C)(CCCS)O[SiH2]CCCS.
What is the InChIKey of 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol?
The InChIKey is ATPIPQFHFILMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H42O3S4Si4/c1-25(2,14-6-10-21)18-27(4,16-8-12-23)19-26(3,15-7-11-22)17-24-13-5-9-20/h20-23H,5-16,24H2,1-4H3.
What are the key properties of 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol?
3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol has a molecular weight of 523.12 g/mol, XLogP of 5.17, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[dimethyl(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxy-methyl-(3-sulfanylpropyl)silyl]oxysilylpropane-1-thiol is sourced from PubChem (CID 123346721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).