trimethoxy-[3-(phenyldisulfanyl)propyl]silane

C12H20O3S2Si — CID 14765025

IUPACtrimethoxy-[3-(phenyldisulfanyl)propyl]silane
SMILESCO[Si](CCCSSc1ccccc1)(OC)OC
InChIInChI=1S/C12H20O3S2Si/c1-13-18(14-2,15-3)11-7-10-16-17-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyWCLKBOONJIEOFK-UHFFFAOYSA-N
MW304.51 g/mol
LogP3.70
Rot. Bonds9

About trimethoxy-[3-(phenyldisulfanyl)propyl]silane

trimethoxy-[3-(phenyldisulfanyl)propyl]silane (PubChem CID 14765025) has the molecular formula C12H20O3S2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is trimethoxy-[3-(phenyldisulfanyl)propyl]silane.

Molecular Properties

Compound Nametrimethoxy-[3-(phenyldisulfanyl)propyl]silane
PubChem CID14765025
Molecular FormulaC12H20O3S2Si
Molecular Weight304.51 g/mol
Exact Mass304.06
IUPAC Nametrimethoxy-[3-(phenyldisulfanyl)propyl]silane
SMILESCO[Si](CCCSSc1ccccc1)(OC)OC
InChIInChI=1S/C12H20O3S2Si/c1-13-18(14-2,15-3)11-7-10-16-17-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyWCLKBOONJIEOFK-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy-[3-(phenyldisulfanyl)propyl]silane?
The IUPAC name of trimethoxy-[3-(phenyldisulfanyl)propyl]silane (CID 14765025) is trimethoxy-[3-(phenyldisulfanyl)propyl]silane.
What is the SMILES notation for trimethoxy-[3-(phenyldisulfanyl)propyl]silane?
The canonical SMILES for trimethoxy-[3-(phenyldisulfanyl)propyl]silane is CO[Si](CCCSSc1ccccc1)(OC)OC.
What is the InChIKey of trimethoxy-[3-(phenyldisulfanyl)propyl]silane?
The InChIKey is WCLKBOONJIEOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S2Si/c1-13-18(14-2,15-3)11-7-10-16-17-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of trimethoxy-[3-(phenyldisulfanyl)propyl]silane?
trimethoxy-[3-(phenyldisulfanyl)propyl]silane has a molecular weight of 304.51 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[3-(phenyldisulfanyl)propyl]silane is sourced from PubChem (CID 14765025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).