methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane

C15H15F19OSi — CID 59112318

IUPACmethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-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)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H15F19OSi/c1-35-36(6-3-9(18,19)20,7-4-10(21,22)23)5-2-8(16,17)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h2-7H2,1H3
InChIKeyFLRYLKOQCSSHED-UHFFFAOYSA-N
MW600.33 g/mol
LogP8.61
Rot. Bonds12

About methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane

methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane (PubChem CID 59112318) has the molecular formula C15H15F19OSi and a molecular weight of 600.33 g/mol. Its IUPAC name is methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namemethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane
PubChem CID59112318
Molecular FormulaC15H15F19OSi
Molecular Weight600.33 g/mol
Exact Mass600.06
IUPAC Namemethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-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)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H15F19OSi/c1-35-36(6-3-9(18,19)20,7-4-10(21,22)23)5-2-8(16,17)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h2-7H2,1H3
InChIKeyFLRYLKOQCSSHED-UHFFFAOYSA-N
XLogP8.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.33
LogP ≤ 58.61
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-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane?
The IUPAC name of methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane (CID 59112318) is methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane?
The canonical SMILES for methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-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)C(F)(F)C(F)(F)F.
What is the InChIKey of methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane?
The InChIKey is FLRYLKOQCSSHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F19OSi/c1-35-36(6-3-9(18,19)20,7-4-10(21,22)23)5-2-8(16,17)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)34/h2-7H2,1H3.
What are the key properties of methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane?
methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane has a molecular weight of 600.33 g/mol, XLogP of 8.61, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-bis(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 59112318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).