tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate

C19H26Cl3NO3Si — CID 10551545

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H26Cl3NO3Si/c1-7-14(27(5,6)15-11-9-8-10-12-15)13-23(16(24)19(20,21)22)17(25)26-18(2,3)4/h7-12H,13H2,1-6H3/b14-7-
InChIKeyNRMYJNQGXXKZSI-AUWJEWJLSA-N
MW450.87 g/mol
LogP5.22
Rot. Bonds4

About tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate (PubChem CID 10551545) has the molecular formula C19H26Cl3NO3Si and a molecular weight of 450.87 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
PubChem CID10551545
Molecular FormulaC19H26Cl3NO3Si
Molecular Weight450.87 g/mol
Exact Mass449.07
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H26Cl3NO3Si/c1-7-14(27(5,6)15-11-9-8-10-12-15)13-23(16(24)19(20,21)22)17(25)26-18(2,3)4/h7-12H,13H2,1-6H3/b14-7-
InChIKeyNRMYJNQGXXKZSI-AUWJEWJLSA-N
XLogP5.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.87
LogP ≤ 55.22
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-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate (CID 10551545) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate is C/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate?
The InChIKey is NRMYJNQGXXKZSI-AUWJEWJLSA-N. The full InChI is InChI=1S/C19H26Cl3NO3Si/c1-7-14(27(5,6)15-11-9-8-10-12-15)13-23(16(24)19(20,21)22)17(25)26-18(2,3)4/h7-12H,13H2,1-6H3/b14-7-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate has a molecular weight of 450.87 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate is sourced from PubChem (CID 10551545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).