tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane

C14H21F11O3Si — CID 20513043

IUPACtripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane
SMILESCCCO[Si](OCCC)(OCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F11O3Si/c1-4-7-26-29(27-8-5-2,28-9-6-3)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h4-9H2,1-3H3
InChIKeyPIODKGMGEXABCY-UHFFFAOYSA-N
MW474.38 g/mol
LogP5.85
Rot. Bonds13

About tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane

tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane (PubChem CID 20513043) has the molecular formula C14H21F11O3Si and a molecular weight of 474.38 g/mol. Its IUPAC name is tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane.

Molecular Properties

Compound Nametripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane
PubChem CID20513043
Molecular FormulaC14H21F11O3Si
Molecular Weight474.38 g/mol
Exact Mass474.11
IUPAC Nametripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane
SMILESCCCO[Si](OCCC)(OCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F11O3Si/c1-4-7-26-29(27-8-5-2,28-9-6-3)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h4-9H2,1-3H3
InChIKeyPIODKGMGEXABCY-UHFFFAOYSA-N
XLogP5.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.38
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane?
The IUPAC name of tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane (CID 20513043) is tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane.
What is the SMILES notation for tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane?
The canonical SMILES for tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane is CCCO[Si](OCCC)(OCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane?
The InChIKey is PIODKGMGEXABCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F11O3Si/c1-4-7-26-29(27-8-5-2,28-9-6-3)14(24,25)12(19,20)10(15,16)11(17,18)13(21,22)23/h4-9H2,1-3H3.
What are the key properties of tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane?
tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane has a molecular weight of 474.38 g/mol, XLogP of 5.85, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropoxy(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)silane is sourced from PubChem (CID 20513043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).