trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane

C22H29F13O2Si3 — CID 173295393

IUPACtrimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane
SMILESC[Si](C)(C)O[SiH](O[Si](C)(C)C)C(=Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C22H29F13O2Si3/c1-39(2,3)36-38(37-40(4,5)6)16(14-15-10-8-7-9-11-15)19(28,29)21(32,33)22(34,35)20(30,31)17(23,24)12-13-18(25,26)27/h7-11,14,38H,12-13H2,1-6H3
InChIKeyNBOKNBLSWGIWLN-UHFFFAOYSA-N
MW656.70 g/mol
LogP9.05
Rot. Bonds13

About trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane

trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane (PubChem CID 173295393) has the molecular formula C22H29F13O2Si3 and a molecular weight of 656.70 g/mol. Its IUPAC name is trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane
PubChem CID173295393
Molecular FormulaC22H29F13O2Si3
Molecular Weight656.70 g/mol
Exact Mass656.13
IUPAC Nametrimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane
SMILESC[Si](C)(C)O[SiH](O[Si](C)(C)C)C(=Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
InChIInChI=1S/C22H29F13O2Si3/c1-39(2,3)36-38(37-40(4,5)6)16(14-15-10-8-7-9-11-15)19(28,29)21(32,33)22(34,35)20(30,31)17(23,24)12-13-18(25,26)27/h7-11,14,38H,12-13H2,1-6H3
InChIKeyNBOKNBLSWGIWLN-UHFFFAOYSA-N
XLogP9.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.70
LogP ≤ 59.05
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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Related Compounds

trimethyl-[[2-phenyl-1-tris(trimethylsilyloxy)silylethenyl]-trimethylsilyloxysilyl]oxysilane
CID 175704298
1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl 2-methylprop-2-enoate;phenyl 2-methylprop-2-enoate
CID 161190885
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
CID 10822185
2-[tert-butyl(dimethyl)silyl]oxy-3-phenylprop-2-enal
CID 175337315
[(Z)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]benzene
CID 15651904
1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl acetate
CID 89413806
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,18,18,18-tritriacontafluorooctadecan-1-ol
CID 88632833
4-ethenyl-2-(1,1,2,2,3,3,4,4,5,5,8,8,8-tridecafluorooctyl)pyridine;hydroiodide
CID 162542747
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,16,16,16-nonacosafluorohexadecyl 3-(4-methoxyphenyl)prop-2-enoate
CID 139617680
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
CID 640491
(1-dimethylsilyl-2-phenylethenyl)-tris(trimethylsilyloxy)silane
CID 175704291
(1S)-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-2-methoxy-1-phenyl-2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)decan-1-ol
CID 15416142

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane?
The IUPAC name of trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane (CID 173295393) is trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane.
What is the SMILES notation for trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane?
The canonical SMILES for trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane is C[Si](C)(C)O[SiH](O[Si](C)(C)C)C(=Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F.
What is the InChIKey of trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane?
The InChIKey is NBOKNBLSWGIWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F13O2Si3/c1-39(2,3)36-38(37-40(4,5)6)16(14-15-10-8-7-9-11-15)19(28,29)21(32,33)22(34,35)20(30,31)17(23,24)12-13-18(25,26)27/h7-11,14,38H,12-13H2,1-6H3.
What are the key properties of trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane?
trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane has a molecular weight of 656.70 g/mol, XLogP of 9.05, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(3,3,4,4,5,5,6,6,7,7,10,10,10-tridecafluoro-1-phenyldec-1-en-2-yl)-trimethylsilyloxysilyl]oxysilane is sourced from PubChem (CID 173295393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).