3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol

C22H37F17O4Si4 — CID 59944632

IUPAC3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO
InChIInChI=1S/C22H37F17O4Si4/c1-44(2,3)41-46(6,7)43-47(8,42-45(4,5)13-10-12-40)14-9-11-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h40H,9-14H2,1-8H3
InChIKeyJWKFICIJKWSLSI-UHFFFAOYSA-N
MW800.84 g/mol
LogP10.02
Rot. Bonds19

About 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol

3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol (PubChem CID 59944632) has the molecular formula C22H37F17O4Si4 and a molecular weight of 800.84 g/mol. Its IUPAC name is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol.

Molecular Properties

Compound Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol
PubChem CID59944632
Molecular FormulaC22H37F17O4Si4
Molecular Weight800.84 g/mol
Exact Mass800.15
IUPAC Name3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO
InChIInChI=1S/C22H37F17O4Si4/c1-44(2,3)41-46(6,7)43-47(8,42-45(4,5)13-10-12-40)14-9-11-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h40H,9-14H2,1-8H3
InChIKeyJWKFICIJKWSLSI-UHFFFAOYSA-N
XLogP10.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.84
LogP ≤ 510.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The IUPAC name of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol (CID 59944632) is 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol.
What is the SMILES notation for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The canonical SMILES for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol is C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCCO.
What is the InChIKey of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
The InChIKey is JWKFICIJKWSLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37F17O4Si4/c1-44(2,3)41-46(6,7)43-47(8,42-45(4,5)13-10-12-40)14-9-11-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h40H,9-14H2,1-8H3.
What are the key properties of 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol?
3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol has a molecular weight of 800.84 g/mol, XLogP of 10.02, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[dimethyl(trimethylsilyloxy)silyl]oxy-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-methylsilyl]oxy-dimethylsilyl]propan-1-ol is sourced from PubChem (CID 59944632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).