methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane

C13H15F15OSi — CID 59112326

IUPACmethoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane
SMILESCO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F15OSi/c1-29-30(6-3-9(16,17)18,7-4-10(19,20)21)5-2-8(14,15)11(22,23)12(24,25)13(26,27)28/h2-7H2,1H3
InChIKeyOTFMVKGARZMBJF-UHFFFAOYSA-N
MW500.32 g/mol
LogP7.34
Rot. Bonds10

About methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane

methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane (PubChem CID 59112326) has the molecular formula C13H15F15OSi and a molecular weight of 500.32 g/mol. Its IUPAC name is methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namemethoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane
PubChem CID59112326
Molecular FormulaC13H15F15OSi
Molecular Weight500.32 g/mol
Exact Mass500.07
IUPAC Namemethoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane
SMILESCO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H15F15OSi/c1-29-30(6-3-9(16,17)18,7-4-10(19,20)21)5-2-8(14,15)11(22,23)12(24,25)13(26,27)28/h2-7H2,1H3
InChIKeyOTFMVKGARZMBJF-UHFFFAOYSA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.32
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane?
The IUPAC name of methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane (CID 59112326) is methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane?
The canonical SMILES for methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane is CO[Si](CCC(F)(F)F)(CCC(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane?
The InChIKey is OTFMVKGARZMBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F15OSi/c1-29-30(6-3-9(16,17)18,7-4-10(19,20)21)5-2-8(14,15)11(22,23)12(24,25)13(26,27)28/h2-7H2,1H3.
What are the key properties of methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane?
methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane has a molecular weight of 500.32 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-bis(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 59112326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).