diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane

C19H25F17O3Si — CID 175036646

IUPACdiethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane
SMILESCCO[Si](C)(OCC)OC(C)(C)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/C19H25F17O3Si/c1-6-37-40(5,38-7-2)39-11(3,4)10-13(22,23)16(29,30)18(33,34)19(35,36)17(31,32)15(27,28)12(20,21)8-9-14(24,25)26/h6-10H2,1-5H3
InChIKeyPKLIGMAEKCMYJI-UHFFFAOYSA-N
MW652.46 g/mol
LogP8.60
Rot. Bonds16

About diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane

diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane (PubChem CID 175036646) has the molecular formula C19H25F17O3Si and a molecular weight of 652.46 g/mol. Its IUPAC name is diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane.

Molecular Properties

Compound Namediethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane
PubChem CID175036646
Molecular FormulaC19H25F17O3Si
Molecular Weight652.46 g/mol
Exact Mass652.13
IUPAC Namediethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane
SMILESCCO[Si](C)(OCC)OC(C)(C)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/C19H25F17O3Si/c1-6-37-40(5,38-7-2)39-11(3,4)10-13(22,23)16(29,30)18(33,34)19(35,36)17(31,32)15(27,28)12(20,21)8-9-14(24,25)26/h6-10H2,1-5H3
InChIKeyPKLIGMAEKCMYJI-UHFFFAOYSA-N
XLogP8.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.46
LogP ≤ 58.60
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-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane?
The IUPAC name of diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane (CID 175036646) is diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane.
What is the SMILES notation for diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane?
The canonical SMILES for diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane is CCO[Si](C)(OCC)OC(C)(C)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-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane?
The InChIKey is PKLIGMAEKCMYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F17O3Si/c1-6-37-40(5,38-7-2)39-11(3,4)10-13(22,23)16(29,30)18(33,34)19(35,36)17(31,32)15(27,28)12(20,21)8-9-14(24,25)26/h6-10H2,1-5H3.
What are the key properties of diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane?
diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane has a molecular weight of 652.46 g/mol, XLogP of 8.60, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,13,13,13-heptadecafluoro-2-methyltridecan-2-yl)oxy-methylsilane is sourced from PubChem (CID 175036646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).