trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane

C10H13F11O3Si — CID 59112305

IUPACtrimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C10H13F11O3Si/c1-22-25(23-2,24-3)5-4-6(11,12)7(13,14)8(15,16)9(17,18)10(19,20)21/h4-5H2,1-3H3
InChIKeyQVIGYSNPOHGNTL-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.36
Rot. Bonds9

About trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane

trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane (PubChem CID 59112305) has the molecular formula C10H13F11O3Si and a molecular weight of 418.28 g/mol. Its IUPAC name is trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane.

Molecular Properties

Compound Nametrimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
PubChem CID59112305
Molecular FormulaC10H13F11O3Si
Molecular Weight418.28 g/mol
Exact Mass418.05
IUPAC Nametrimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC
InChIInChI=1S/C10H13F11O3Si/c1-22-25(23-2,24-3)5-4-6(11,12)7(13,14)8(15,16)9(17,18)10(19,20)21/h4-5H2,1-3H3
InChIKeyQVIGYSNPOHGNTL-UHFFFAOYSA-N
XLogP4.36
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.36
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(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane?
The IUPAC name of trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane (CID 59112305) is trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane.
What is the SMILES notation for trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane?
The canonical SMILES for trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane is CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC.
What is the InChIKey of trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane?
The InChIKey is QVIGYSNPOHGNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F11O3Si/c1-22-25(23-2,24-3)5-4-6(11,12)7(13,14)8(15,16)9(17,18)10(19,20)21/h4-5H2,1-3H3.
What are the key properties of trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane?
trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane has a molecular weight of 418.28 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silane is sourced from PubChem (CID 59112305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).