tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate

C16H28Cl3NO3Si — CID 146158008

IUPACtert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate
SMILESC=CCC1CN(C(=O)OC(C)(C)C)CC1(O[Si](C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C16H28Cl3NO3Si/c1-8-9-12-10-20(13(21)22-14(2,3)4)11-15(12,16(17,18)19)23-24(5,6)7/h8,12H,1,9-11H2,2-7H3
InChIKeyIDCJRKOOSVNTKW-UHFFFAOYSA-N
MW416.85 g/mol
LogP5.39
Rot. Bonds4

About tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate

tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 146158008) has the molecular formula C16H28Cl3NO3Si and a molecular weight of 416.85 g/mol. Its IUPAC name is tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate
PubChem CID146158008
Molecular FormulaC16H28Cl3NO3Si
Molecular Weight416.85 g/mol
Exact Mass415.09
IUPAC Nametert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate
SMILESC=CCC1CN(C(=O)OC(C)(C)C)CC1(O[Si](C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C16H28Cl3NO3Si/c1-8-9-12-10-20(13(21)22-14(2,3)4)11-15(12,16(17,18)19)23-24(5,6)7/h8,12H,1,9-11H2,2-7H3
InChIKeyIDCJRKOOSVNTKW-UHFFFAOYSA-N
XLogP5.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.85
LogP ≤ 55.39
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(2-hydroxyethyl)-3,3-dimethylpyrrolidine-1-carboxylate
CID 155820839
tert-butyl 3-hydroxy-4-prop-2-enylpyrrolidine-1-carboxylate
CID 20780852
tert-butyl 3-prop-2-enylpyrrolidine-1-carboxylate
CID 129095066
tert-butyl 4-prop-2-enylpiperidine-1-carboxylate
CID 11117722
tert-butyl 4-amino-3,3-difluoropyrrolidine-1-carboxylate;ethane
CID 144626869
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
(5S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-7-prop-2-enoxycarbonyl-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170756263
tert-butyl 6-oxo-7-prop-2-enyl-2-azaspiro[3.4]octane-2-carboxylate
CID 146276977
3-O-tert-butyl 7-O-prop-2-enyl 9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarboxylate
CID 23569422
tert-butyl 3-formyloxy-4-prop-2-enylpyrrolidine-1-carboxylate
CID 130367334
(3R,4R)-4-amino-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 175374024
tert-butyl 3-[(4-ethenyl-2-oxopyrrolidin-1-yl)methyl]-3-hydroxyazetidine-1-carboxylate
CID 168683863

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate (CID 146158008) is tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate is C=CCC1CN(C(=O)OC(C)(C)C)CC1(O[Si](C)(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is IDCJRKOOSVNTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28Cl3NO3Si/c1-8-9-12-10-20(13(21)22-14(2,3)4)11-15(12,16(17,18)19)23-24(5,6)7/h8,12H,1,9-11H2,2-7H3.
What are the key properties of tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate?
tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 416.85 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-prop-2-enyl-3-(trichloromethyl)-3-trimethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 146158008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).