triethoxy(3-phenylsulfanylpropyl)silane

C15H26O3SSi — CID 151300368

IUPACtriethoxy(3-phenylsulfanylpropyl)silane
SMILESCCO[Si](CCCSc1ccccc1)(OCC)OCC
InChIInChI=1S/C15H26O3SSi/c1-4-16-20(17-5-2,18-6-3)14-10-13-19-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3
InChIKeyOCHHILYWXMJXDX-UHFFFAOYSA-N
MW314.52 g/mol
LogP4.22
Rot. Bonds11

About triethoxy(3-phenylsulfanylpropyl)silane

triethoxy(3-phenylsulfanylpropyl)silane (PubChem CID 151300368) has the molecular formula C15H26O3SSi and a molecular weight of 314.52 g/mol. Its IUPAC name is triethoxy(3-phenylsulfanylpropyl)silane.

Molecular Properties

Compound Nametriethoxy(3-phenylsulfanylpropyl)silane
PubChem CID151300368
Molecular FormulaC15H26O3SSi
Molecular Weight314.52 g/mol
Exact Mass314.14
IUPAC Nametriethoxy(3-phenylsulfanylpropyl)silane
SMILESCCO[Si](CCCSc1ccccc1)(OCC)OCC
InChIInChI=1S/C15H26O3SSi/c1-4-16-20(17-5-2,18-6-3)14-10-13-19-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3
InChIKeyOCHHILYWXMJXDX-UHFFFAOYSA-N
XLogP4.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.22
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-phenylsulfanylpropyl)silane?
The IUPAC name of triethoxy(3-phenylsulfanylpropyl)silane (CID 151300368) is triethoxy(3-phenylsulfanylpropyl)silane.
What is the SMILES notation for triethoxy(3-phenylsulfanylpropyl)silane?
The canonical SMILES for triethoxy(3-phenylsulfanylpropyl)silane is CCO[Si](CCCSc1ccccc1)(OCC)OCC.
What is the InChIKey of triethoxy(3-phenylsulfanylpropyl)silane?
The InChIKey is OCHHILYWXMJXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3SSi/c1-4-16-20(17-5-2,18-6-3)14-10-13-19-15-11-8-7-9-12-15/h7-9,11-12H,4-6,10,13-14H2,1-3H3.
What are the key properties of triethoxy(3-phenylsulfanylpropyl)silane?
triethoxy(3-phenylsulfanylpropyl)silane has a molecular weight of 314.52 g/mol, XLogP of 4.22, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(3-phenylsulfanylpropyl)silane is sourced from PubChem (CID 151300368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).