tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate

C17H33NO3Si — CID 173324867

IUPACtert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
SMILESC=CC1(O[SiH](C)C)CC(C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3Si/c1-10-17(21-22(8)9)11-13(15(2,3)4)12-18(17)14(19)20-16(5,6)7/h10,13,22H,1,11-12H2,2-9H3
InChIKeyMSSZZNNGMJHQHF-UHFFFAOYSA-N
MW327.54 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate

tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate (PubChem CID 173324867) has the molecular formula C17H33NO3Si and a molecular weight of 327.54 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
PubChem CID173324867
Molecular FormulaC17H33NO3Si
Molecular Weight327.54 g/mol
Exact Mass327.22
IUPAC Nametert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
SMILESC=CC1(O[SiH](C)C)CC(C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H33NO3Si/c1-10-17(21-22(8)9)11-13(15(2,3)4)12-18(17)14(19)20-16(5,6)7/h10,13,22H,1,11-12H2,2-9H3
InChIKeyMSSZZNNGMJHQHF-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
CID 173210248
tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173254372
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348366
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291233
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-methylsulfonylprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348591
prop-2-enyl (2S,4R)-4-tert-butyl-2-(2-chloro-3-ethoxy-3-oxoprop-1-enyl)-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173349448
CID 173291484
CID 173291484
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-(4-hydroxybut-2-en-2-yl)pyrrolidine-1-carboxylate
CID 173348292
tert-butyl (2S,4R)-2-[2-(butoxycarbonylamino)-1-hydroxyethyl]-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291267
tert-butyl (2S,4S)-4-tert-butyl-2-dimethylsilyloxy-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-4-trityloxybutan-2-yl]pyrrolidine-1-carboxylate
CID 173291262
tert-butyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[[4-(oxan-2-yloxymethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 173279486
tert-butyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-trityloxybutan-2-yl]pyrrolidine-1-carboxylate
CID 173291258

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate (CID 173324867) is tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate is C=CC1(O[SiH](C)C)CC(C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate?
The InChIKey is MSSZZNNGMJHQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3Si/c1-10-17(21-22(8)9)11-13(15(2,3)4)12-18(17)14(19)20-16(5,6)7/h10,13,22H,1,11-12H2,2-9H3.
What are the key properties of tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate?
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate has a molecular weight of 327.54 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 173324867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).