triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane

C17H30O3SSi — CID 59305880

IUPACtriethoxy-[3-(1-phenylethylsulfanyl)propyl]silane
SMILESCCO[Si](CCCSC(C)c1ccccc1)(OCC)OCC
InChIInChI=1S/C17H30O3SSi/c1-5-18-22(19-6-2,20-7-3)15-11-14-21-16(4)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3
InChIKeyFFUKUMONZMRDLI-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.92
Rot. Bonds12

About triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane

triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane (PubChem CID 59305880) has the molecular formula C17H30O3SSi and a molecular weight of 342.58 g/mol. Its IUPAC name is triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(1-phenylethylsulfanyl)propyl]silane
PubChem CID59305880
Molecular FormulaC17H30O3SSi
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Nametriethoxy-[3-(1-phenylethylsulfanyl)propyl]silane
SMILESCCO[Si](CCCSC(C)c1ccccc1)(OCC)OCC
InChIInChI=1S/C17H30O3SSi/c1-5-18-22(19-6-2,20-7-3)15-11-14-21-16(4)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3
InChIKeyFFUKUMONZMRDLI-UHFFFAOYSA-N
XLogP4.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane?
The IUPAC name of triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane (CID 59305880) is triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane?
The canonical SMILES for triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane is CCO[Si](CCCSC(C)c1ccccc1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane?
The InChIKey is FFUKUMONZMRDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3SSi/c1-5-18-22(19-6-2,20-7-3)15-11-14-21-16(4)17-12-9-8-10-13-17/h8-10,12-13,16H,5-7,11,14-15H2,1-4H3.
What are the key properties of triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane?
triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane has a molecular weight of 342.58 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(1-phenylethylsulfanyl)propyl]silane is sourced from PubChem (CID 59305880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).