tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate

C28H36F3NO4Si — CID 11991849

IUPACtert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
SMILESCC(C)(C)OC(=O)C(C/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C28H36F3NO4Si/c1-26(2,3)36-24(33)23(32-25(34)28(29,30)31)19-13-14-20-35-37(27(4,5)6,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-18,23H,19-20H2,1-6H3,(H,32,34)/b14-13-
InChIKeyQSZGIQUTQAVGRT-YPKPFQOOSA-N
MW535.68 g/mol
LogP4.90
Rot. Bonds9

About tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate

tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate (PubChem CID 11991849) has the molecular formula C28H36F3NO4Si and a molecular weight of 535.68 g/mol. Its IUPAC name is tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
PubChem CID11991849
Molecular FormulaC28H36F3NO4Si
Molecular Weight535.68 g/mol
Exact Mass535.24
IUPAC Nametert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
SMILESCC(C)(C)OC(=O)C(C/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C28H36F3NO4Si/c1-26(2,3)36-24(33)23(32-25(34)28(29,30)31)19-13-14-20-35-37(27(4,5)6,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-18,23H,19-20H2,1-6H3,(H,32,34)/b14-13-
InChIKeyQSZGIQUTQAVGRT-YPKPFQOOSA-N
XLogP4.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.68
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate?
The IUPAC name of tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate (CID 11991849) is tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate.
What is the SMILES notation for tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate?
The canonical SMILES for tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate is CC(C)(C)OC(=O)C(C/C=C\CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate?
The InChIKey is QSZGIQUTQAVGRT-YPKPFQOOSA-N. The full InChI is InChI=1S/C28H36F3NO4Si/c1-26(2,3)36-24(33)23(32-25(34)28(29,30)31)19-13-14-20-35-37(27(4,5)6,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-18,23H,19-20H2,1-6H3,(H,32,34)/b14-13-.
What are the key properties of tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate?
tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate has a molecular weight of 535.68 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate is sourced from PubChem (CID 11991849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).