tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate

C28H37NO4Si — CID 71732480

IUPACtert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/N1C(=O)CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37NO4Si/c1-27(2,3)33-26(31)19-20-29-22(17-18-25(29)30)21-32-34(28(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19-20,22H,17-18,21H2,1-6H3/b20-19+/t22-/m0/s1
InChIKeyIKJYMINIIKKKOL-PANRORFQSA-N
MW479.69 g/mol
LogP4.41
Rot. Bonds7

About tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate

tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate (PubChem CID 71732480) has the molecular formula C28H37NO4Si and a molecular weight of 479.69 g/mol. Its IUPAC name is tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate
PubChem CID71732480
Molecular FormulaC28H37NO4Si
Molecular Weight479.69 g/mol
Exact Mass479.25
IUPAC Nametert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/N1C(=O)CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37NO4Si/c1-27(2,3)33-26(31)19-20-29-22(17-18-25(29)30)21-32-34(28(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19-20,22H,17-18,21H2,1-6H3/b20-19+/t22-/m0/s1
InChIKeyIKJYMINIIKKKOL-PANRORFQSA-N
XLogP4.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.69
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(fluoromethyl)-5-oxopyrrolidine-1-carboxylate
CID 12111284
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
CID 11465570
(5R)-1-[(2R)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 11713074
(5R)-1-[1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]-5-[(2R)-3-ethenyl-5-oxo-2H-furan-2-yl]pyrrolidin-2-one
CID 134848013
tert-butyl (2R)-4-[[(Z)-4-bromo-5-methoxy-5-oxopent-3-enyl]-[5-[tert-butyl(diphenyl)silyl]oxypentyl]carbamoyl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
CID 135074503
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 15483164
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyl-5-oxopyrrolidine-1-carboxylate
CID 10950738
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 21681574
tert-Butoxycarbonyl-5-(tert-butyldiphenylsilanyloxymethyl)pyrrolidin-2-one
CID 57055651

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate (CID 71732480) is tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate is CC(C)(C)OC(=O)/C=C/N1C(=O)CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate?
The InChIKey is IKJYMINIIKKKOL-PANRORFQSA-N. The full InChI is InChI=1S/C28H37NO4Si/c1-27(2,3)33-26(31)19-20-29-22(17-18-25(29)30)21-32-34(28(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19-20,22H,17-18,21H2,1-6H3/b20-19+/t22-/m0/s1.
What are the key properties of tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate?
tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate has a molecular weight of 479.69 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]prop-2-enoate is sourced from PubChem (CID 71732480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).