3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane

C19H25F17O3Si — CID 23160487

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane
SMILESCCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC)OCCC
InChIInChI=1S/C19H25F17O3Si/c1-4-8-37-40(38-9-5-2,39-10-6-3)11-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4-11H2,1-3H3
InChIKeyGUXGHBVABOZQRZ-UHFFFAOYSA-N
MW652.46 g/mol
LogP8.60
Rot. Bonds18

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane (PubChem CID 23160487) has the molecular formula C19H25F17O3Si and a molecular weight of 652.46 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane
PubChem CID23160487
Molecular FormulaC19H25F17O3Si
Molecular Weight652.46 g/mol
Exact Mass652.13
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane
SMILESCCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC)OCCC
InChIInChI=1S/C19H25F17O3Si/c1-4-8-37-40(38-9-5-2,39-10-6-3)11-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4-11H2,1-3H3
InChIKeyGUXGHBVABOZQRZ-UHFFFAOYSA-N
XLogP8.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.46
LogP ≤ 58.60
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 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane (CID 23160487) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane is CCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC)OCCC.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane?
The InChIKey is GUXGHBVABOZQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F17O3Si/c1-4-8-37-40(38-9-5-2,39-10-6-3)11-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4-11H2,1-3H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane has a molecular weight of 652.46 g/mol, XLogP of 8.60, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(tripropoxy)silane is sourced from PubChem (CID 23160487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).