tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate

C30H41NO4Si — CID 10929279

IUPACtert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate
SMILESCC(=O)CC[C@H]1C=CN(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H41NO4Si/c1-23(32)18-19-24-20-21-31(28(33)35-29(2,3)4)27(24)22-34-36(30(5,6)7,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20-21,24,27H,18-19,22H2,1-7H3/t24-,27+/m0/s1
InChIKeyBFZYPAKLROZEMS-RPLLCQBOSA-N
MW507.75 g/mol
LogP5.68
Rot. Bonds8

About tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate (PubChem CID 10929279) has the molecular formula C30H41NO4Si and a molecular weight of 507.75 g/mol. Its IUPAC name is tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate
PubChem CID10929279
Molecular FormulaC30H41NO4Si
Molecular Weight507.75 g/mol
Exact Mass507.28
IUPAC Nametert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate
SMILESCC(=O)CC[C@H]1C=CN(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H41NO4Si/c1-23(32)18-19-24-20-21-31(28(33)35-29(2,3)4)27(24)22-34-36(30(5,6)7,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20-21,24,27H,18-19,22H2,1-7H3/t24-,27+/m0/s1
InChIKeyBFZYPAKLROZEMS-RPLLCQBOSA-N
XLogP5.68
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.75
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]heptanoate
CID 135070431
tert-butyl (2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-5-oxopyrrolidine-1-carboxylate
CID 11577087
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
CID 11730345
tert-butyl (2S,3S)-3-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 21681571
tert-butyl (3R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 58011500
tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxo-3-prop-2-enylpyrrolidine-1-carboxylate
CID 58330064
tert-butyl (3R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-2-oxopyrrolidine-1-carboxylate
CID 69795682
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
CID 140620079
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-methyl-5-oxoheptan-2-yl]carbamate
CID 140966072
tert-butyl (2S,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 152358625
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(2-methylpropyl)-6-oxopiperidine-1-carboxylate
CID 163246004
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethyl-6-oxopiperidine-1-carboxylate
CID 163246432

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate (CID 10929279) is tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate is CC(=O)CC[C@H]1C=CN(C(=O)OC(C)(C)C)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is BFZYPAKLROZEMS-RPLLCQBOSA-N. The full InChI is InChI=1S/C30H41NO4Si/c1-23(32)18-19-24-20-21-31(28(33)35-29(2,3)4)27(24)22-34-36(30(5,6)7,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-17,20-21,24,27H,18-19,22H2,1-7H3/t24-,27+/m0/s1.
What are the key properties of tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate?
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 507.75 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(3-oxobutyl)-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 10929279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).