[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate

C28H35NO5Si — CID 135016292

IUPAC[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)n1cccc1
InChIInChI=1S/C28H35NO5Si/c1-27(2,3)34-25(30)24(33-26(31)29-19-13-14-20-29)21-32-35(28(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-20,24H,21H2,1-6H3/t24-/m1/s1
InChIKeyFOYPEGIEKXABCF-XMMPIXPASA-N
MW493.68 g/mol
LogP4.76
Rot. Bonds7

About [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate

[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate (PubChem CID 135016292) has the molecular formula C28H35NO5Si and a molecular weight of 493.68 g/mol. Its IUPAC name is [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate.

Molecular Properties

Compound Name[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate
PubChem CID135016292
Molecular FormulaC28H35NO5Si
Molecular Weight493.68 g/mol
Exact Mass493.23
IUPAC Name[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)n1cccc1
InChIInChI=1S/C28H35NO5Si/c1-27(2,3)34-25(30)24(33-26(31)29-19-13-14-20-29)21-32-35(28(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-20,24H,21H2,1-6H3/t24-/m1/s1
InChIKeyFOYPEGIEKXABCF-XMMPIXPASA-N
XLogP4.76
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate
CID 175494998
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
tert-butyl (2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-2,4,6-trimethylheptanoate
CID 10994868
tert-butyl N-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-imidazol-1-yl-1-oxopropan-2-yl]carbamate
CID 11555010
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
CID 86196394
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
tert-butyl (2R)-1-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-phenylethyl]aziridine-2-carboxylate
CID 101000099
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102238795

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate?
The IUPAC name of [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate (CID 135016292) is [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate.
What is the SMILES notation for [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate?
The canonical SMILES for [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate is CC(C)(C)OC(=O)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC(=O)n1cccc1.
What is the InChIKey of [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate?
The InChIKey is FOYPEGIEKXABCF-XMMPIXPASA-N. The full InChI is InChI=1S/C28H35NO5Si/c1-27(2,3)34-25(30)24(33-26(31)29-19-13-14-20-29)21-32-35(28(4,5)6,22-15-9-7-10-16-22)23-17-11-8-12-18-23/h7-20,24H,21H2,1-6H3/t24-/m1/s1.
What are the key properties of [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate?
[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate has a molecular weight of 493.68 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] pyrrole-1-carboxylate is sourced from PubChem (CID 135016292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).