triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane

C17H30O3SSi — CID 150384875

IUPACtriethoxy-[3-(2-phenylethylsulfanyl)propyl]silane
SMILESCCO[Si](CCCSCCc1ccccc1)(OCC)OCC
InChIInChI=1S/C17H30O3SSi/c1-4-18-22(19-5-2,20-6-3)16-10-14-21-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3
InChIKeyHAMJZQNSYDAMJA-UHFFFAOYSA-N
MW342.58 g/mol
LogP4.40
Rot. Bonds13

About triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane

triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane (PubChem CID 150384875) has the molecular formula C17H30O3SSi and a molecular weight of 342.58 g/mol. Its IUPAC name is triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-(2-phenylethylsulfanyl)propyl]silane
PubChem CID150384875
Molecular FormulaC17H30O3SSi
Molecular Weight342.58 g/mol
Exact Mass342.17
IUPAC Nametriethoxy-[3-(2-phenylethylsulfanyl)propyl]silane
SMILESCCO[Si](CCCSCCc1ccccc1)(OCC)OCC
InChIInChI=1S/C17H30O3SSi/c1-4-18-22(19-5-2,20-6-3)16-10-14-21-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3
InChIKeyHAMJZQNSYDAMJA-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.58
LogP ≤ 54.40
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'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane?
The IUPAC name of triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane (CID 150384875) is triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane.
What is the SMILES notation for triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane?
The canonical SMILES for triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane is CCO[Si](CCCSCCc1ccccc1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane?
The InChIKey is HAMJZQNSYDAMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3SSi/c1-4-18-22(19-5-2,20-6-3)16-10-14-21-15-13-17-11-8-7-9-12-17/h7-9,11-12H,4-6,10,13-16H2,1-3H3.
What are the key properties of triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane?
triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane has a molecular weight of 342.58 g/mol, XLogP of 4.40, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-(2-phenylethylsulfanyl)propyl]silane is sourced from PubChem (CID 150384875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).