[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane

C13H22F3NO3Si2 — CID 91700294

IUPAC[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCC(O[Si](C)(C)O[Si](C)(C)OCc1cccnc1)C(F)(F)F
InChIInChI=1S/C13H22F3NO3Si2/c1-11(13(14,15)16)19-22(4,5)20-21(2,3)18-10-12-7-6-8-17-9-12/h6-9,11H,10H2,1-5H3
InChIKeyPOSXKISYGSFHBH-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.99
Rot. Bonds7

About [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane

[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane (PubChem CID 91700294) has the molecular formula C13H22F3NO3Si2 and a molecular weight of 353.49 g/mol. Its IUPAC name is [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane.

Molecular Properties

Compound Name[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane
PubChem CID91700294
Molecular FormulaC13H22F3NO3Si2
Molecular Weight353.49 g/mol
Exact Mass353.11
IUPAC Name[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane
SMILESCC(O[Si](C)(C)O[Si](C)(C)OCc1cccnc1)C(F)(F)F
InChIInChI=1S/C13H22F3NO3Si2/c1-11(13(14,15)16)19-22(4,5)20-21(2,3)18-10-12-7-6-8-17-9-12/h6-9,11H,10H2,1-5H3
InChIKeyPOSXKISYGSFHBH-UHFFFAOYSA-N
XLogP3.99
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The IUPAC name of [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane (CID 91700294) is [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane.
What is the SMILES notation for [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The canonical SMILES for [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane is CC(O[Si](C)(C)O[Si](C)(C)OCc1cccnc1)C(F)(F)F.
What is the InChIKey of [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane?
The InChIKey is POSXKISYGSFHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3Si2/c1-11(13(14,15)16)19-22(4,5)20-21(2,3)18-10-12-7-6-8-17-9-12/h6-9,11H,10H2,1-5H3.
What are the key properties of [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane?
[dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane has a molecular weight of 353.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(pyridin-3-ylmethoxy)silyl]oxy-dimethyl-(1,1,1-trifluoropropan-2-yloxy)silane is sourced from PubChem (CID 91700294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).