tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate

C18H35NO4Si — CID 165163835

IUPACtert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-17(2,3)23-16(21)19-14(11-12-15(19)20)10-9-13-22-24(7,8)18(4,5)6/h14H,9-13H2,1-8H3
InChIKeyWHWKLRLEILIZIS-UHFFFAOYSA-N
MW357.57 g/mol
LogP4.71
Rot. Bonds5

About tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 165163835) has the molecular formula C18H35NO4Si and a molecular weight of 357.57 g/mol. Its IUPAC name is tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID165163835
Molecular FormulaC18H35NO4Si
Molecular Weight357.57 g/mol
Exact Mass357.23
IUPAC Nametert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CCC1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H35NO4Si/c1-17(2,3)23-16(21)19-14(11-12-15(19)20)10-9-13-22-24(7,8)18(4,5)6/h14H,9-13H2,1-8H3
InChIKeyWHWKLRLEILIZIS-UHFFFAOYSA-N
XLogP4.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxobutyl)pyrrolidine-1-carboxylate
CID 11360757
tert-butyl (2S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 162400570
tert-butyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyrrolidine-1-carboxylate
CID 162403149
(2R,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-formylethyl)pyrrolidine
CID 10498568
tert-Butyl (2R,4R)-4-{[tert-butyl(dimethyl)silyl]oxy}-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
Tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 19427997
(2S,4R)-N-tert-butoxycarbonyl-4-tert-butyldimethylsiloxy-2-(2-ethoxycarbonyl)ethylpyrrolidine
CID 22865010
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-oxopropyl)pyrrolidine-1-carboxylate
CID 57095579
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 67885252
3-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 67885608
3-((2R,4R)-1-(tert-butoxycarbonyl)-4-{[tert-butyl(dimethyl)silyl]oxy}-pyrrolidin-2-yl)propanoic acid
CID 69036723
3-[4-[Tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 69037416

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate (CID 165163835) is tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CCC1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is WHWKLRLEILIZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO4Si/c1-17(2,3)23-16(21)19-14(11-12-15(19)20)10-9-13-22-24(7,8)18(4,5)6/h14H,9-13H2,1-8H3.
What are the key properties of tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 357.57 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 165163835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).