[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate

C16H30F6O3Si2 — CID 131723725

IUPAC[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H30F6O3Si2/c1-12(2,3)26(7,8)24-11(23)14(15(17,18)19,16(20,21)22)25-27(9,10)13(4,5)6/h1-10H3
InChIKeyFBNQKSIYKAIPOT-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.42
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate

[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate (PubChem CID 131723725) has the molecular formula C16H30F6O3Si2 and a molecular weight of 440.57 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
PubChem CID131723725
Molecular FormulaC16H30F6O3Si2
Molecular Weight440.57 g/mol
Exact Mass440.16
IUPAC Name[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H30F6O3Si2/c1-12(2,3)26(7,8)24-11(23)14(15(17,18)19,16(20,21)22)25-27(9,10)13(4,5)6/h1-10H3
InChIKeyFBNQKSIYKAIPOT-UHFFFAOYSA-N
XLogP6.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[Tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
CID 22287141
alpha-Hydroxyisobutyric acid, 2TBDMS derivative
CID 553122

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate (CID 131723725) is [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate is CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
The InChIKey is FBNQKSIYKAIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F6O3Si2/c1-12(2,3)26(7,8)24-11(23)14(15(17,18)19,16(20,21)22)25-27(9,10)13(4,5)6/h1-10H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate?
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate has a molecular weight of 440.57 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propanoate is sourced from PubChem (CID 131723725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).