trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane

C20H36F12O4Si3 — CID 21365453

IUPACtrimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane
SMILESCCC[Si](C)(OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H36F12O4Si3/c1-9-14-39(8,33-12-10-15(17(21,22)23,18(24,25)26)35-37(2,3)4)34-13-11-16(19(27,28)29,20(30,31)32)36-38(5,6)7/h9-14H2,1-8H3
InChIKeyBQBOWYSGOPGELO-UHFFFAOYSA-N
MW652.74 g/mol
LogP8.71
Rot. Bonds14

About trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane

trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane (PubChem CID 21365453) has the molecular formula C20H36F12O4Si3 and a molecular weight of 652.74 g/mol. Its IUPAC name is trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane
PubChem CID21365453
Molecular FormulaC20H36F12O4Si3
Molecular Weight652.74 g/mol
Exact Mass652.17
IUPAC Nametrimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane
SMILESCCC[Si](C)(OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H36F12O4Si3/c1-9-14-39(8,33-12-10-15(17(21,22)23,18(24,25)26)35-37(2,3)4)34-13-11-16(19(27,28)29,20(30,31)32)36-38(5,6)7/h9-14H2,1-8H3
InChIKeyBQBOWYSGOPGELO-UHFFFAOYSA-N
XLogP8.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.74
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane?
The IUPAC name of trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane (CID 21365453) is trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane.
What is the SMILES notation for trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane?
The canonical SMILES for trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane is CCC[Si](C)(OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F)OCCC(O[Si](C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane?
The InChIKey is BQBOWYSGOPGELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36F12O4Si3/c1-9-14-39(8,33-12-10-15(17(21,22)23,18(24,25)26)35-37(2,3)4)34-13-11-16(19(27,28)29,20(30,31)32)36-38(5,6)7/h9-14H2,1-8H3.
What are the key properties of trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane?
trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane has a molecular weight of 652.74 g/mol, XLogP of 8.71, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1,1,1-trifluoro-4-[methyl-propyl-[4,4,4-trifluoro-3-(trifluoromethyl)-3-trimethylsilyloxybutoxy]silyl]oxy-2-(trifluoromethyl)butan-2-yl]oxysilane is sourced from PubChem (CID 21365453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).