diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane

C22H31F17O3Si — CID 175174311

IUPACdiethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane
SMILESCCO[Si](CC)(OCC)OC(CC)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C22H31F17O3Si/c1-6-14(7-2,42-43(10-5,40-8-3)41-9-4)13-16(25,26)19(32,33)21(36,37)22(38,39)20(34,35)18(30,31)15(23,24)11-12-17(27,28)29/h6-13H2,1-5H3
InChIKeyYFMWVCHDEGGSGF-UHFFFAOYSA-N
MW694.54 g/mol
LogP9.77
Rot. Bonds19

About diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane

diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane (PubChem CID 175174311) has the molecular formula C22H31F17O3Si and a molecular weight of 694.54 g/mol. Its IUPAC name is diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane.

Molecular Properties

Compound Namediethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane
PubChem CID175174311
Molecular FormulaC22H31F17O3Si
Molecular Weight694.54 g/mol
Exact Mass694.18
IUPAC Namediethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane
SMILESCCO[Si](CC)(OCC)OC(CC)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C22H31F17O3Si/c1-6-14(7-2,42-43(10-5,40-8-3)41-9-4)13-16(25,26)19(32,33)21(36,37)22(38,39)20(34,35)18(30,31)15(23,24)11-12-17(27,28)29/h6-13H2,1-5H3
InChIKeyYFMWVCHDEGGSGF-UHFFFAOYSA-N
XLogP9.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.54
LogP ≤ 59.77
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 diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane?
The IUPAC name of diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane (CID 175174311) is diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane.
What is the SMILES notation for diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane?
The canonical SMILES for diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane is CCO[Si](CC)(OCC)OC(CC)(CC)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane?
The InChIKey is YFMWVCHDEGGSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F17O3Si/c1-6-14(7-2,42-43(10-5,40-8-3)41-9-4)13-16(25,26)19(32,33)21(36,37)22(38,39)20(34,35)18(30,31)15(23,24)11-12-17(27,28)29/h6-13H2,1-5H3.
What are the key properties of diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane?
diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane has a molecular weight of 694.54 g/mol, XLogP of 9.77, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-ethyl-(3-ethyl-5,5,6,6,7,7,8,8,9,9,10,10,11,11,14,14,14-heptadecafluorotetradecan-3-yl)oxysilane is sourced from PubChem (CID 175174311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).