[5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate

C15H26F6O3Si2 — CID 18739240

IUPAC[5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC[Si](C)(C)O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H26F6O3Si2/c1-11(2)12(22)23-13(14(16,17)18,15(19,20)21)9-8-10-26(6,7)24-25(3,4)5/h1,8-10H2,2-7H3
InChIKeyJCNIDTJUOUGTLA-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.81
Rot. Bonds8

About [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate

[5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate (PubChem CID 18739240) has the molecular formula C15H26F6O3Si2 and a molecular weight of 424.53 g/mol. Its IUPAC name is [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate
PubChem CID18739240
Molecular FormulaC15H26F6O3Si2
Molecular Weight424.53 g/mol
Exact Mass424.13
IUPAC Name[5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCC[Si](C)(C)O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H26F6O3Si2/c1-11(2)12(22)23-13(14(16,17)18,15(19,20)21)9-8-10-26(6,7)24-25(3,4)5/h1,8-10H2,2-7H3
InChIKeyJCNIDTJUOUGTLA-UHFFFAOYSA-N
XLogP5.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[[bis[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]-trimethylsilyloxysilyl]-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 21242018
3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 101031805
[4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate
CID 153316400
3-[bis[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy]-methylsilyl]propyl 2-methylprop-2-enoate;3-[[methyl(diphenyl)silyl]oxy-phenyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate;3-[methyl-[methyl(dipropyl)silyl]oxy-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate;[1,1,1-trifluoro-4-[methyl-bis(trimethylsilyloxy)silyl]-2-(trifluoromethyl)butan-2-yl] 2-methylprop-2-enoate;3-tris[[dimethyl(trimethylsilyloxy)silyl]oxy]silylpropyl 2-methylprop-2-enoate;3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 160934390
1,1,1,2,3,3,3-heptafluoropropan-2-yl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 161115014
5-[dimethyl(trimethylsilyloxy)silyl]-2-methylidenepentanoic acid
CID 87359143
[1,1,1,7,7,7-hexafluoro-6-hydroxy-2,6-bis(trifluoromethyl)heptan-2-yl] 2-(trifluoromethyl)prop-2-enoate
CID 21041941
3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
CID 88568225
3-[[bis[methyl-[3-(2-methylprop-2-enoyloxy)propyl]-trimethylsilyloxysilyl]-silylmethyl]-methyl-trimethylsilyloxysilyl]propyl 2-methylprop-2-enoate
CID 149435617
1,1,1,2,2,3,3,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecan-4-yl 2-methylprop-2-enoate
CID 141413005
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
3-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344

Frequently Asked Questions

What is the IUPAC name of [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate (CID 18739240) is [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCC[Si](C)(C)O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate?
The InChIKey is JCNIDTJUOUGTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F6O3Si2/c1-11(2)12(22)23-13(14(16,17)18,15(19,20)21)9-8-10-26(6,7)24-25(3,4)5/h1,8-10H2,2-7H3.
What are the key properties of [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate?
[5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate has a molecular weight of 424.53 g/mol, XLogP of 5.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[dimethyl(trimethylsilyloxy)silyl]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 18739240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).