tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate

C15H26Cl3NO3Si — CID 11795418

IUPACtert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate
SMILESCC/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)C
InChIInChI=1S/C15H26Cl3NO3Si/c1-8-9-11(23(5,6)7)10-19(12(20)15(16,17)18)13(21)22-14(2,3)4/h9H,8,10H2,1-7H3/b11-9-
InChIKeyZOTYYPWFYIXRQS-LUAWRHEFSA-N
MW402.82 g/mol
LogP5.33
Rot. Bonds4

About tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate

tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate (PubChem CID 11795418) has the molecular formula C15H26Cl3NO3Si and a molecular weight of 402.82 g/mol. Its IUPAC name is tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate
PubChem CID11795418
Molecular FormulaC15H26Cl3NO3Si
Molecular Weight402.82 g/mol
Exact Mass401.07
IUPAC Nametert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate
SMILESCC/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)C
InChIInChI=1S/C15H26Cl3NO3Si/c1-8-9-11(23(5,6)7)10-19(12(20)15(16,17)18)13(21)22-14(2,3)4/h9H,8,10H2,1-7H3/b11-9-
InChIKeyZOTYYPWFYIXRQS-LUAWRHEFSA-N
XLogP5.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.82
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate?
The IUPAC name of tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate (CID 11795418) is tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate is CC/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)C.
What is the InChIKey of tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate?
The InChIKey is ZOTYYPWFYIXRQS-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H26Cl3NO3Si/c1-8-9-11(23(5,6)7)10-19(12(20)15(16,17)18)13(21)22-14(2,3)4/h9H,8,10H2,1-7H3/b11-9-.
What are the key properties of tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate?
tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate has a molecular weight of 402.82 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate is sourced from PubChem (CID 11795418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).