[dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane

C23H57F3O15Si12 — CID 158169124

IUPAC[dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane
SMILESCO[SiH](C)C.CO[Si](C)(C)O[Si](C)(C)c1cccc(C(F)(F)F)c1.C[SiH]1O[Si]2(C)O[Si]3(C)O[Si](C)(O[SiH3])O[Si]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4
InChIInChI=1S/C12H19F3O2Si2.C8H28O12Si9.C3H10OSi/c1-16-19(4,5)17-18(2,3)11-8-6-7-10(9-11)12(13,14)15;1-22-10-24(3)14-26(5)12-23(2,9-21)13-27(6)15-25(4,11-22)17-28(7,16-24)20-29(8,18-26)19-27;1-4-5(2)3/h6-9H,1-5H3;22H,1-8,21H3;5H,1-3H3
InChIKeyFXFPIINQMAXBMQ-UHFFFAOYSA-N
MW967.72 g/mol
LogP3.45
Rot. Bonds6

About [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane

[dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane (PubChem CID 158169124) has the molecular formula C23H57F3O15Si12 and a molecular weight of 967.72 g/mol. Its IUPAC name is [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane.

Molecular Properties

Compound Name[dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane
PubChem CID158169124
Molecular FormulaC23H57F3O15Si12
Molecular Weight967.72 g/mol
Exact Mass966.09
IUPAC Name[dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane
SMILESCO[SiH](C)C.CO[Si](C)(C)O[Si](C)(C)c1cccc(C(F)(F)F)c1.C[SiH]1O[Si]2(C)O[Si]3(C)O[Si](C)(O[SiH3])O[Si]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4
InChIInChI=1S/C12H19F3O2Si2.C8H28O12Si9.C3H10OSi/c1-16-19(4,5)17-18(2,3)11-8-6-7-10(9-11)12(13,14)15;1-22-10-24(3)14-26(5)12-23(2,9-21)13-27(6)15-25(4,11-22)17-28(7,16-24)20-29(8,18-26)19-27;1-4-5(2)3/h6-9H,1-5H3;22H,1-8,21H3;5H,1-3H3
InChIKeyFXFPIINQMAXBMQ-UHFFFAOYSA-N
XLogP3.45
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.72
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane?
The IUPAC name of [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane (CID 158169124) is [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane.
What is the SMILES notation for [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane?
The canonical SMILES for [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane is CO[SiH](C)C.CO[Si](C)(C)O[Si](C)(C)c1cccc(C(F)(F)F)c1.C[SiH]1O[Si]2(C)O[Si]3(C)O[Si](C)(O[SiH3])O[Si]4(C)O[Si](C)(O1)O[Si](C)(O2)O[Si](C)(O3)O4.
What is the InChIKey of [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane?
The InChIKey is FXFPIINQMAXBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O2Si2.C8H28O12Si9.C3H10OSi/c1-16-19(4,5)17-18(2,3)11-8-6-7-10(9-11)12(13,14)15;1-22-10-24(3)14-26(5)12-23(2,9-21)13-27(6)15-25(4,11-22)17-28(7,16-24)20-29(8,18-26)19-27;1-4-5(2)3/h6-9H,1-5H3;22H,1-8,21H3;5H,1-3H3.
What are the key properties of [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane?
[dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane has a molecular weight of 967.72 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[3-(trifluoromethyl)phenyl]silyl]oxy-methoxy-dimethylsilane;methoxy(dimethyl)silane;(1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl)oxysilane is sourced from PubChem (CID 158169124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).