tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

C15H21F13O3Si — CID 18519541

IUPACtripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
SMILESCCCO[Si](OCCC)(OCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H21F13O3Si/c1-4-7-29-32(30-8-5-2,31-9-6-3)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h4-9H2,1-3H3
InChIKeyLYKAHDATIWNVKK-UHFFFAOYSA-N
MW524.39 g/mol
LogP6.48
Rot. Bonds14

About tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane

tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane (PubChem CID 18519541) has the molecular formula C15H21F13O3Si and a molecular weight of 524.39 g/mol. Its IUPAC name is tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane.

Molecular Properties

Compound Nametripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
PubChem CID18519541
Molecular FormulaC15H21F13O3Si
Molecular Weight524.39 g/mol
Exact Mass524.11
IUPAC Nametripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane
SMILESCCCO[Si](OCCC)(OCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H21F13O3Si/c1-4-7-29-32(30-8-5-2,31-9-6-3)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h4-9H2,1-3H3
InChIKeyLYKAHDATIWNVKK-UHFFFAOYSA-N
XLogP6.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.39
LogP ≤ 56.48
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(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The IUPAC name of tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane (CID 18519541) is tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane.
What is the SMILES notation for tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The canonical SMILES for tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane is CCCO[Si](OCCC)(OCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
The InChIKey is LYKAHDATIWNVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F13O3Si/c1-4-7-29-32(30-8-5-2,31-9-6-3)15(27,28)13(22,23)11(18,19)10(16,17)12(20,21)14(24,25)26/h4-9H2,1-3H3.
What are the key properties of tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane?
tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane has a molecular weight of 524.39 g/mol, XLogP of 6.48, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripropoxy(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)silane is sourced from PubChem (CID 18519541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).