trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane

C22H36O3Si2 — CID 159040096

IUPACtrimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
SMILESCO[Si](CCc1ccccc1)(OC)OC.C[Si](C)(C)CCc1ccccc1
InChIInChI=1S/C11H18O3Si.C11H18Si/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11;1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3;4-8H,9-10H2,1-3H3
InChIKeyJVYFYOBLJWMEQF-UHFFFAOYSA-N
MW404.70 g/mol
LogP5.67
Rot. Bonds9

About trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane

trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane (PubChem CID 159040096) has the molecular formula C22H36O3Si2 and a molecular weight of 404.70 g/mol. Its IUPAC name is trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane.

Molecular Properties

Compound Nametrimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
PubChem CID159040096
Molecular FormulaC22H36O3Si2
Molecular Weight404.70 g/mol
Exact Mass404.22
IUPAC Nametrimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane
SMILESCO[Si](CCc1ccccc1)(OC)OC.C[Si](C)(C)CCc1ccccc1
InChIInChI=1S/C11H18O3Si.C11H18Si/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11;1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3;4-8H,9-10H2,1-3H3
InChIKeyJVYFYOBLJWMEQF-UHFFFAOYSA-N
XLogP5.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.70
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane?
The IUPAC name of trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane (CID 159040096) is trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane.
What is the SMILES notation for trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane?
The canonical SMILES for trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane is CO[Si](CCc1ccccc1)(OC)OC.C[Si](C)(C)CCc1ccccc1.
What is the InChIKey of trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane?
The InChIKey is JVYFYOBLJWMEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3Si.C11H18Si/c1-12-15(13-2,14-3)10-9-11-7-5-4-6-8-11;1-12(2,3)10-9-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3;4-8H,9-10H2,1-3H3.
What are the key properties of trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane?
trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane has a molecular weight of 404.70 g/mol, XLogP of 5.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(2-phenylethyl)silane;trimethyl(2-phenylethyl)silane is sourced from PubChem (CID 159040096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).