3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane

C19H25F17O3Si — CID 23160473

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane
SMILESCC(C)O[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)(OC(C)C)OC(C)C
InChIInChI=1S/C19H25F17O3Si/c1-9(2)37-40(38-10(3)4,39-11(5)6)8-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h9-11H,7-8H2,1-6H3
InChIKeyOUVSPPNCAAZLIA-UHFFFAOYSA-N
MW652.46 g/mol
LogP8.60
Rot. Bonds15

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane (PubChem CID 23160473) 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-tri(propan-2-yloxy)silane.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane
PubChem CID23160473
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-tri(propan-2-yloxy)silane
SMILESCC(C)O[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)(OC(C)C)OC(C)C
InChIInChI=1S/C19H25F17O3Si/c1-9(2)37-40(38-10(3)4,39-11(5)6)8-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h9-11H,7-8H2,1-6H3
InChIKeyOUVSPPNCAAZLIA-UHFFFAOYSA-N
XLogP8.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
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'}

Analyze 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-tri(propan-2-yloxy)silane?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane (CID 23160473) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)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-tri(propan-2-yloxy)silane?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane is CC(C)O[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)(OC(C)C)OC(C)C.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane?
The InChIKey is OUVSPPNCAAZLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F17O3Si/c1-9(2)37-40(38-10(3)4,39-11(5)6)8-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h9-11H,7-8H2,1-6H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-tri(propan-2-yloxy)silane has a molecular weight of 652.46 g/mol, XLogP of 8.60, 15 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-tri(propan-2-yloxy)silane is sourced from PubChem (CID 23160473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).