benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate

C25H43NO4Si2 — CID 134934639

IUPACbenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CN1C(=O)OCc1ccccc1
InChIInChI=1S/C25H43NO4Si2/c1-24(2,3)31(7,8)29-19-21-22(30-32(9,10)25(4,5)6)16-17-26(21)23(27)28-18-20-14-12-11-13-15-20/h11-17,21-22H,18-19H2,1-10H3/t21-,22+/m0/s1
InChIKeyCHMGPWYYKHEANL-FCHUYYIVSA-N
MW477.79 g/mol
LogP6.93
Rot. Bonds7

About benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate

benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate (PubChem CID 134934639) has the molecular formula C25H43NO4Si2 and a molecular weight of 477.79 g/mol. Its IUPAC name is benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
PubChem CID134934639
Molecular FormulaC25H43NO4Si2
Molecular Weight477.79 g/mol
Exact Mass477.27
IUPAC Namebenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CN1C(=O)OCc1ccccc1
InChIInChI=1S/C25H43NO4Si2/c1-24(2,3)31(7,8)29-19-21-22(30-32(9,10)25(4,5)6)16-17-26(21)23(27)28-18-20-14-12-11-13-15-20/h11-17,21-22H,18-19H2,1-10H3/t21-,22+/m0/s1
InChIKeyCHMGPWYYKHEANL-FCHUYYIVSA-N
XLogP6.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.79
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate (CID 134934639) is benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate is CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is CHMGPWYYKHEANL-FCHUYYIVSA-N. The full InChI is InChI=1S/C25H43NO4Si2/c1-24(2,3)31(7,8)29-19-21-22(30-32(9,10)25(4,5)6)16-17-26(21)23(27)28-18-20-14-12-11-13-15-20/h11-17,21-22H,18-19H2,1-10H3/t21-,22+/m0/s1.
What are the key properties of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate?
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 477.79 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 134934639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).