[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate

C12H17F7O4Si — CID 91697500

IUPAC[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)COC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F7O4Si/c1-9(2,3)24(4,5)23-7(20)6-22-8(21)10(13,14)11(15,16)12(17,18)19/h6H2,1-5H3
InChIKeyUNFHNYQVAWWKTG-UHFFFAOYSA-N
MW386.34 g/mol
LogP3.91
Rot. Bonds5

About [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate

[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 91697500) has the molecular formula C12H17F7O4Si and a molecular weight of 386.34 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID91697500
Molecular FormulaC12H17F7O4Si
Molecular Weight386.34 g/mol
Exact Mass386.08
IUPAC Name[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCC(C)(C)[Si](C)(C)OC(=O)COC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H17F7O4Si/c1-9(2,3)24(4,5)23-7(20)6-22-8(21)10(13,14)11(15,16)12(17,18)19/h6H2,1-5H3
InChIKeyUNFHNYQVAWWKTG-UHFFFAOYSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate (CID 91697500) is [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate is CC(C)(C)[Si](C)(C)OC(=O)COC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is UNFHNYQVAWWKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F7O4Si/c1-9(2,3)24(4,5)23-7(20)6-22-8(21)10(13,14)11(15,16)12(17,18)19/h6H2,1-5H3.
What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate?
[2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 386.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl] 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 91697500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).