tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate

C16H28Cl3NO3Si — CID 10645606

IUPACtert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
SMILESCC(C)/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)C
InChIInChI=1S/C16H28Cl3NO3Si/c1-11(2)9-12(24(6,7)8)10-20(13(21)16(17,18)19)14(22)23-15(3,4)5/h9,11H,10H2,1-8H3/b12-9-
InChIKeyZNHBVRPAHODKIQ-XFXZXTDPSA-N
MW416.85 g/mol
LogP5.58
Rot. Bonds4

About tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate

tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate (PubChem CID 10645606) has the molecular formula C16H28Cl3NO3Si and a molecular weight of 416.85 g/mol. Its IUPAC name is tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
PubChem CID10645606
Molecular FormulaC16H28Cl3NO3Si
Molecular Weight416.85 g/mol
Exact Mass415.09
IUPAC Nametert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate
SMILESCC(C)/C=C(/CN(C(=O)OC(C)(C)C)C(=O)C(Cl)(Cl)Cl)[Si](C)(C)C
InChIInChI=1S/C16H28Cl3NO3Si/c1-11(2)9-12(24(6,7)8)10-20(13(21)16(17,18)19)14(22)23-15(3,4)5/h9,11H,10H2,1-8H3/b12-9-
InChIKeyZNHBVRPAHODKIQ-XFXZXTDPSA-N
XLogP5.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.85
LogP ≤ 55.58
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-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)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-trimethylsilylbut-2-enyl]carbamate
CID 10668039
tert-butyl N-(2,2,2-trichloroacetyl)-N-[(Z)-2-trimethylsilylpent-2-enyl]carbamate
CID 11795418
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-butan-2-yl-N-prop-2-enylcarbamate
CID 10375927
tert-butyl N-[(3R)-4-hydroxy-3-methylbutyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 88904676
tert-butyl N-methoxycarbonyl-N-(2-methylbutyl)carbamate
CID 87525206
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
tert-butyl N-(1-isocyanopropan-2-yl)-N-methylcarbamate
CID 82658144
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate?
The IUPAC name of tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate (CID 10645606) is tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate?
The canonical SMILES for tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate is CC(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-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate?
The InChIKey is ZNHBVRPAHODKIQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H28Cl3NO3Si/c1-11(2)9-12(24(6,7)8)10-20(13(21)16(17,18)19)14(22)23-15(3,4)5/h9,11H,10H2,1-8H3/b12-9-.
What are the key properties of tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate?
tert-butyl N-[(Z)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate has a molecular weight of 416.85 g/mol, XLogP of 5.58, 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)-4-methyl-2-trimethylsilylpent-2-enyl]-N-(2,2,2-trichloroacetyl)carbamate is sourced from PubChem (CID 10645606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).