tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C17H25F13O3Si — CID 23160471

IUPACtri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCC(C)O[Si](CCC(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/C17H25F13O3Si/c1-9(2)31-34(32-10(3)4,33-11(5)6)8-7-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h9-11H,7-8H2,1-6H3
InChIKeyUCCMEROEJHHORK-UHFFFAOYSA-N
MW552.44 g/mol
LogP7.33
Rot. Bonds13

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

tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 23160471) has the molecular formula C17H25F13O3Si and a molecular weight of 552.44 g/mol. Its IUPAC name is tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Nametri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID23160471
Molecular FormulaC17H25F13O3Si
Molecular Weight552.44 g/mol
Exact Mass552.14
IUPAC Nametri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCC(C)O[Si](CCC(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/C17H25F13O3Si/c1-9(2)31-34(32-10(3)4,33-11(5)6)8-7-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h9-11H,7-8H2,1-6H3
InChIKeyUCCMEROEJHHORK-UHFFFAOYSA-N
XLogP7.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.44
LogP ≤ 57.33
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 tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 23160471) is tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is CC(C)O[Si](CCC(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 tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is UCCMEROEJHHORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F13O3Si/c1-9(2)31-34(32-10(3)4,33-11(5)6)8-7-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h9-11H,7-8H2,1-6H3.
What are the key properties of tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 552.44 g/mol, XLogP of 7.33, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 23160471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).