trimethyl(2-phenylsulfanylethoxy)silane

C11H18OSSi — CID 553448

IUPACtrimethyl(2-phenylsulfanylethoxy)silane
SMILESC[Si](C)(C)OCCSc1ccccc1
InChIInChI=1S/C11H18OSSi/c1-14(2,3)12-9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyHKIAJKAAQOMBLB-UHFFFAOYSA-N
MW226.42 g/mol
LogP3.63
Rot. Bonds5

About trimethyl(2-phenylsulfanylethoxy)silane

trimethyl(2-phenylsulfanylethoxy)silane (PubChem CID 553448) has the molecular formula C11H18OSSi and a molecular weight of 226.42 g/mol. Its IUPAC name is trimethyl(2-phenylsulfanylethoxy)silane.

Molecular Properties

Compound Nametrimethyl(2-phenylsulfanylethoxy)silane
PubChem CID553448
Molecular FormulaC11H18OSSi
Molecular Weight226.42 g/mol
Exact Mass226.08
IUPAC Nametrimethyl(2-phenylsulfanylethoxy)silane
SMILESC[Si](C)(C)OCCSc1ccccc1
InChIInChI=1S/C11H18OSSi/c1-14(2,3)12-9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChIKeyHKIAJKAAQOMBLB-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 trimethyl(2-phenylsulfanylethoxy)silane?
The IUPAC name of trimethyl(2-phenylsulfanylethoxy)silane (CID 553448) is trimethyl(2-phenylsulfanylethoxy)silane.
What is the SMILES notation for trimethyl(2-phenylsulfanylethoxy)silane?
The canonical SMILES for trimethyl(2-phenylsulfanylethoxy)silane is C[Si](C)(C)OCCSc1ccccc1.
What is the InChIKey of trimethyl(2-phenylsulfanylethoxy)silane?
The InChIKey is HKIAJKAAQOMBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OSSi/c1-14(2,3)12-9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3.
What are the key properties of trimethyl(2-phenylsulfanylethoxy)silane?
trimethyl(2-phenylsulfanylethoxy)silane has a molecular weight of 226.42 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-phenylsulfanylethoxy)silane is sourced from PubChem (CID 553448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).