butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate

C22H41NO6Si — CID 67885541

IUPACbutyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-10-11-12-27-20(26)23-15-16(29-30(8,9)22(5,6)7)13-17(23)18(24)14-19(25)28-21(2,3)4/h16-17H,10-15H2,1-9H3
InChIKeyHEKDWUMJNFLLNH-UHFFFAOYSA-N
MW443.66 g/mol
LogP4.69
Rot. Bonds8

About butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate

butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate (PubChem CID 67885541) has the molecular formula C22H41NO6Si and a molecular weight of 443.66 g/mol. Its IUPAC name is butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate
PubChem CID67885541
Molecular FormulaC22H41NO6Si
Molecular Weight443.66 g/mol
Exact Mass443.27
IUPAC Namebutyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)CC(=O)OC(C)(C)C
InChIInChI=1S/C22H41NO6Si/c1-10-11-12-27-20(26)23-15-16(29-30(8,9)22(5,6)7)13-17(23)18(24)14-19(25)28-21(2,3)4/h16-17H,10-15H2,1-9H3
InChIKeyHEKDWUMJNFLLNH-UHFFFAOYSA-N
XLogP4.69
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.66
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-(1,3-dioxoisoindol-2-yl)prop-1-en-2-yl]pyrrolidine-1-carboxylate
CID 67885517
azane;1-O-tert-butyl 2-O-methyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 160879696
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxoprop-1-en-2-yl)pyrrolidine-1-carboxylate
CID 67749947
tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylpyrrolidine-1-carboxylate
CID 85290251
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10621099
tert-butyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 174257287
tert-butyl (2S,4R)-2-(bromomethyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1-carboxylate
CID 45026939
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-3-ethoxy-1-hydroxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10669664
4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 18657897
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(1-ethylazetidin-3-yl)pyrrolidine-1-carboxylate
CID 18657890
tert-butyl (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxy-3-methoxy-3-oxopropyl]pyrrolidine-1-carboxylate
CID 10862338
tert-butyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(ethylsulfonyloxymethyl)pyrrolidine-1-carboxylate
CID 155904410

Frequently Asked Questions

What is the IUPAC name of butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate?
The IUPAC name of butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate (CID 67885541) is butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate is CCCCOC(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)CC(=O)OC(C)(C)C.
What is the InChIKey of butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate?
The InChIKey is HEKDWUMJNFLLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO6Si/c1-10-11-12-27-20(26)23-15-16(29-30(8,9)22(5,6)7)13-17(23)18(24)14-19(25)28-21(2,3)4/h16-17H,10-15H2,1-9H3.
What are the key properties of butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate?
butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate has a molecular weight of 443.66 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[tert-butyl(dimethyl)silyl]oxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67885541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).