diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

C12H15F13O3Si — CID 146679098

IUPACdiethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCO[Si](O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C12H15F13O3Si/c1-3-27-29(26,28-4-2)6-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h26H,3-6H2,1-2H3
InChIKeySJBUZHGGQOMWOA-UHFFFAOYSA-N
MW482.31 g/mol
LogP5.12
Rot. Bonds11

About diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane

diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (PubChem CID 146679098) has the molecular formula C12H15F13O3Si and a molecular weight of 482.31 g/mol. Its IUPAC name is diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Namediethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
PubChem CID146679098
Molecular FormulaC12H15F13O3Si
Molecular Weight482.31 g/mol
Exact Mass482.06
IUPAC Namediethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
SMILESCCO[Si](O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C12H15F13O3Si/c1-3-27-29(26,28-4-2)6-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h26H,3-6H2,1-2H3
InChIKeySJBUZHGGQOMWOA-UHFFFAOYSA-N
XLogP5.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.31
LogP ≤ 55.12
H-Bond Donors ≤ 51
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 diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The IUPAC name of diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane (CID 146679098) is diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The canonical SMILES for diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is CCO[Si](O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC.
What is the InChIKey of diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
The InChIKey is SJBUZHGGQOMWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F13O3Si/c1-3-27-29(26,28-4-2)6-5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h26H,3-6H2,1-2H3.
What are the key properties of diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane?
diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane has a molecular weight of 482.31 g/mol, XLogP of 5.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-hydroxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 146679098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).