[dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane

C22H33F3O6Si3 — CID 90381317

IUPAC[dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane
SMILESCCC[Si](OC)(OC)O[Si](O[Si](CCC(F)(F)F)(OC)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H33F3O6Si3/c1-6-18-32(26-2,27-3)30-34(20-13-9-7-10-14-20,21-15-11-8-12-16-21)31-33(28-4,29-5)19-17-22(23,24)25/h7-16H,6,17-19H2,1-5H3
InChIKeyNUEWUPCTRDEINT-UHFFFAOYSA-N
MW534.75 g/mol
LogP4.10
Rot. Bonds14

About [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane

[dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane (PubChem CID 90381317) has the molecular formula C22H33F3O6Si3 and a molecular weight of 534.75 g/mol. Its IUPAC name is [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane.

Molecular Properties

Compound Name[dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane
PubChem CID90381317
Molecular FormulaC22H33F3O6Si3
Molecular Weight534.75 g/mol
Exact Mass534.15
IUPAC Name[dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane
SMILESCCC[Si](OC)(OC)O[Si](O[Si](CCC(F)(F)F)(OC)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H33F3O6Si3/c1-6-18-32(26-2,27-3)30-34(20-13-9-7-10-14-20,21-15-11-8-12-16-21)31-33(28-4,29-5)19-17-22(23,24)25/h7-16H,6,17-19H2,1-5H3
InChIKeyNUEWUPCTRDEINT-UHFFFAOYSA-N
XLogP4.10
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.75
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane?
The IUPAC name of [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane (CID 90381317) is [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane.
What is the SMILES notation for [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane?
The canonical SMILES for [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane is CCC[Si](OC)(OC)O[Si](O[Si](CCC(F)(F)F)(OC)OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane?
The InChIKey is NUEWUPCTRDEINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3O6Si3/c1-6-18-32(26-2,27-3)30-34(20-13-9-7-10-14-20,21-15-11-8-12-16-21)31-33(28-4,29-5)19-17-22(23,24)25/h7-16H,6,17-19H2,1-5H3.
What are the key properties of [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane?
[dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane has a molecular weight of 534.75 g/mol, XLogP of 4.10, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane is sourced from PubChem (CID 90381317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).