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

C14H24Cl3NO3Si — CID 10668039

IUPACtert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)C
InChIInChI=1S/C14H24Cl3NO3Si/c1-8-10(22(5,6)7)9-18(11(19)14(15,16)17)12(20)21-13(2,3)4/h8H,9H2,1-7H3/b10-8-
InChIKeyDFDWUAKTIIWOMK-NTMALXAHSA-N
MW388.80 g/mol
LogP4.94
Rot. Bonds3

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

tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate (PubChem CID 10668039) has the molecular formula C14H24Cl3NO3Si and a molecular weight of 388.80 g/mol. Its IUPAC name is tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
PubChem CID10668039
Molecular FormulaC14H24Cl3NO3Si
Molecular Weight388.80 g/mol
Exact Mass387.06
IUPAC Nametert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
SMILESC/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)C
InChIInChI=1S/C14H24Cl3NO3Si/c1-8-10(22(5,6)7)9-18(11(19)14(15,16)17)12(20)21-13(2,3)4/h8H,9H2,1-7H3/b10-8-
InChIKeyDFDWUAKTIIWOMK-NTMALXAHSA-N
XLogP4.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 54.94
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'}

Analyze tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate
CID 11795418
tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
CID 10645606
tert-butyl N-[(E)-4,4-dimethylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
CID 10570419
tert-butyl N-[(E)-but-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11777975
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810
tert-butyl N-prop-1-enyl-N-propylcarbamate
CID 90845357
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-(2-oxoethyl)carbamate
CID 10665354
tert-butyl N-but-3-enoyl-N-prop-2-enylcarbamate
CID 51050847
tert-butyl N-(5,5-dimethylhexa-2,3-dienyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11609526
acetaldehyde;acetylene;tert-butyl N,N-diethylcarbamate
CID 143752017
tert-butyl N-[2-(dimethylamino)acetyl]-N-ethylcarbamate
CID 173318697
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 102520805

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate?
The IUPAC name of tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate (CID 10668039) is tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate is C/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-trimethylsilylbut-2-enyl]carbamate?
The InChIKey is DFDWUAKTIIWOMK-NTMALXAHSA-N. The full InChI is InChI=1S/C14H24Cl3NO3Si/c1-8-10(22(5,6)7)9-18(11(19)14(15,16)17)12(20)21-13(2,3)4/h8H,9H2,1-7H3/b10-8-.
What are the key properties of tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate?
tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate has a molecular weight of 388.80 g/mol, XLogP of 4.94, 3 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-trimethylsilylbut-2-enyl]carbamate is sourced from PubChem (CID 10668039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).