trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

C9H13F9O3Si — CID 15651659

IUPACtrimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C9H13F9O3Si/c1-19-22(20-2,21-3)5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3
InChIKeyIJROHELDTBDTPH-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.72
Rot. Bonds8

About trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane

trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (PubChem CID 15651659) has the molecular formula C9H13F9O3Si and a molecular weight of 368.27 g/mol. Its IUPAC name is trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.

Molecular Properties

Compound Nametrimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
PubChem CID15651659
Molecular FormulaC9H13F9O3Si
Molecular Weight368.27 g/mol
Exact Mass368.05
IUPAC Nametrimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C9H13F9O3Si/c1-19-22(20-2,21-3)5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3
InChIKeyIJROHELDTBDTPH-UHFFFAOYSA-N
XLogP3.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.72
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 trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The IUPAC name of trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane (CID 15651659) is trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane.
What is the SMILES notation for trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The canonical SMILES for trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC.
What is the InChIKey of trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
The InChIKey is IJROHELDTBDTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F9O3Si/c1-19-22(20-2,21-3)5-4-6(10,11)7(12,13)8(14,15)9(16,17)18/h4-5H2,1-3H3.
What are the key properties of trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane?
trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane has a molecular weight of 368.27 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane is sourced from PubChem (CID 15651659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).