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

C16H31NO4Si — CID 173210248

IUPACtert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
SMILESC[SiH](C)OC1(C=O)CC(C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4Si/c1-14(2,3)12-9-16(11-18,21-22(7)8)17(10-12)13(19)20-15(4,5)6/h11-12,22H,9-10H2,1-8H3
InChIKeyWJRLLNIWMRFVPE-UHFFFAOYSA-N
MW329.51 g/mol
LogP3.18
Rot. Bonds3

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

tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate (PubChem CID 173210248) has the molecular formula C16H31NO4Si and a molecular weight of 329.51 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
PubChem CID173210248
Molecular FormulaC16H31NO4Si
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC Nametert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate
SMILESC[SiH](C)OC1(C=O)CC(C(C)(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO4Si/c1-14(2,3)12-9-16(11-18,21-22(7)8)17(10-12)13(19)20-15(4,5)6/h11-12,22H,9-10H2,1-8H3
InChIKeyWJRLLNIWMRFVPE-UHFFFAOYSA-N
XLogP3.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-ethenylpyrrolidine-1-carboxylate
CID 173324867
tert-butyl (2S,4R)-2-(aminomethyl)-4-tert-butyl-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173254372
tert-butyl (2S,4R)-4-tert-butyl-2-[(1S)-1,3-dihydroxypropyl]-2-dimethylsilyloxypyrrolidine-1-carboxylate
CID 173291233
CID 173291484
CID 173291484
prop-2-enyl (2S,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[(E)-3-fluoroprop-1-enyl]pyrrolidine-1-carboxylate
CID 173348366
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
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
benzyl (2R,4R)-4-tert-butyl-2-dimethylsilyloxy-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]pyrrolidine-1-carboxylate
CID 173388211

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate (CID 173210248) is tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate is C[SiH](C)OC1(C=O)CC(C(C)(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate?
The InChIKey is WJRLLNIWMRFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4Si/c1-14(2,3)12-9-16(11-18,21-22(7)8)17(10-12)13(19)20-15(4,5)6/h11-12,22H,9-10H2,1-8H3.
What are the key properties of tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate?
tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate has a molecular weight of 329.51 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-2-dimethylsilyloxy-2-formylpyrrolidine-1-carboxylate is sourced from PubChem (CID 173210248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).