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

C18H32F3NO4Si — CID 11991761

IUPACtert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
SMILESCC(C)(C)OC(=O)C(C/C=C\CO[Si](C)(C)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C18H32F3NO4Si/c1-16(2,3)26-14(23)13(22-15(24)18(19,20)21)11-9-10-12-25-27(7,8)17(4,5)6/h9-10,13H,11-12H2,1-8H3,(H,22,24)/b10-9-
InChIKeyAKMCNHIMMQGINK-KTKRTIGZSA-N
MW411.54 g/mol
LogP4.34
Rot. Bonds7

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

tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate (PubChem CID 11991761) has the molecular formula C18H32F3NO4Si and a molecular weight of 411.54 g/mol. Its IUPAC name is tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
PubChem CID11991761
Molecular FormulaC18H32F3NO4Si
Molecular Weight411.54 g/mol
Exact Mass411.21
IUPAC Nametert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate
SMILESCC(C)(C)OC(=O)C(C/C=C\CO[Si](C)(C)C(C)(C)C)NC(=O)C(F)(F)F
InChIInChI=1S/C18H32F3NO4Si/c1-16(2,3)26-14(23)13(22-15(24)18(19,20)21)11-9-10-12-25-27(7,8)17(4,5)6/h9-10,13H,11-12H2,1-8H3,(H,22,24)/b10-9-
InChIKeyAKMCNHIMMQGINK-KTKRTIGZSA-N
XLogP4.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 54.34
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(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate?
The IUPAC name of tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate (CID 11991761) is tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate.
What is the SMILES notation for tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate?
The canonical SMILES for tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate is CC(C)(C)OC(=O)C(C/C=C\CO[Si](C)(C)C(C)(C)C)NC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate?
The InChIKey is AKMCNHIMMQGINK-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H32F3NO4Si/c1-16(2,3)26-14(23)13(22-15(24)18(19,20)21)11-9-10-12-25-27(7,8)17(4,5)6/h9-10,13H,11-12H2,1-8H3,(H,22,24)/b10-9-.
What are the key properties of tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate?
tert-butyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate has a molecular weight of 411.54 g/mol, XLogP of 4.34, 7 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(dimethyl)silyl]oxy-2-[(2,2,2-trifluoroacetyl)amino]hex-4-enoate is sourced from PubChem (CID 11991761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).