trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane

C20H41F3O4Si — CID 87516168

IUPACtrimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane
SMILESCO[Si](CCCCCCCCCCCCCCCOC(F)(F)CF)(OC)OC
InChIInChI=1S/C20H41F3O4Si/c1-24-28(25-2,26-3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-20(22,23)19-21/h4-19H2,1-3H3
InChIKeyXBIITBZVGNGFSS-UHFFFAOYSA-N
MW430.62 g/mol
LogP6.51
Rot. Bonds21

About trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane

trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane (PubChem CID 87516168) has the molecular formula C20H41F3O4Si and a molecular weight of 430.62 g/mol. Its IUPAC name is trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane.

Molecular Properties

Compound Nametrimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane
PubChem CID87516168
Molecular FormulaC20H41F3O4Si
Molecular Weight430.62 g/mol
Exact Mass430.27
IUPAC Nametrimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane
SMILESCO[Si](CCCCCCCCCCCCCCCOC(F)(F)CF)(OC)OC
InChIInChI=1S/C20H41F3O4Si/c1-24-28(25-2,26-3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-20(22,23)19-21/h4-19H2,1-3H3
InChIKeyXBIITBZVGNGFSS-UHFFFAOYSA-N
XLogP6.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 56.51
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 trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane?
The IUPAC name of trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane (CID 87516168) is trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane.
What is the SMILES notation for trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane?
The canonical SMILES for trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane is CO[Si](CCCCCCCCCCCCCCCOC(F)(F)CF)(OC)OC.
What is the InChIKey of trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane?
The InChIKey is XBIITBZVGNGFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41F3O4Si/c1-24-28(25-2,26-3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27-20(22,23)19-21/h4-19H2,1-3H3.
What are the key properties of trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane?
trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane has a molecular weight of 430.62 g/mol, XLogP of 6.51, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy-[15-(1,1,2-trifluoroethoxy)pentadecyl]silane is sourced from PubChem (CID 87516168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).