diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane

C15H17F17O2Si — CID 15806690

IUPACdiethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
SMILESCCO[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C15H17F17O2Si/c1-4-33-35(3,34-5-2)7-6-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h4-7H2,1-3H3
InChIKeyFWFYREMNEFLCAK-UHFFFAOYSA-N
MW580.35 g/mol
LogP7.53
Rot. Bonds13

About diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane

diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane (PubChem CID 15806690) has the molecular formula C15H17F17O2Si and a molecular weight of 580.35 g/mol. Its IUPAC name is diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane.

Molecular Properties

Compound Namediethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
PubChem CID15806690
Molecular FormulaC15H17F17O2Si
Molecular Weight580.35 g/mol
Exact Mass580.07
IUPAC Namediethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
SMILESCCO[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
InChIInChI=1S/C15H17F17O2Si/c1-4-33-35(3,34-5-2)7-6-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h4-7H2,1-3H3
InChIKeyFWFYREMNEFLCAK-UHFFFAOYSA-N
XLogP7.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.35
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane?
The IUPAC name of diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane (CID 15806690) is diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane.
What is the SMILES notation for diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane?
The canonical SMILES for diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane is CCO[Si](C)(CCC(F)(F)C(F)(F)C(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-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane?
The InChIKey is FWFYREMNEFLCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F17O2Si/c1-4-33-35(3,34-5-2)7-6-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h4-7H2,1-3H3.
What are the key properties of diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane?
diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane has a molecular weight of 580.35 g/mol, XLogP of 7.53, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane is sourced from PubChem (CID 15806690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).