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

C23H29NO3Si — CID 15483168

IUPACmethyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1C=CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29NO3Si/c1-23(2,3)28(20-13-7-5-8-14-20,21-15-9-6-10-16-21)27-18-19-12-11-17-24(19)22(25)26-4/h5-11,13-17,19H,12,18H2,1-4H3/t19-/m0/s1
InChIKeySJILYINEMYZWNT-IBGZPJMESA-N
MW395.58 g/mol
LogP3.92
Rot. Bonds5

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

methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate (PubChem CID 15483168) has the molecular formula C23H29NO3Si and a molecular weight of 395.58 g/mol. Its IUPAC name is methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
PubChem CID15483168
Molecular FormulaC23H29NO3Si
Molecular Weight395.58 g/mol
Exact Mass395.19
IUPAC Namemethyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate
SMILESCOC(=O)N1C=CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H29NO3Si/c1-23(2,3)28(20-13-7-5-8-14-20,21-15-9-6-10-16-21)27-18-19-12-11-17-24(19)22(25)26-4/h5-11,13-17,19H,12,18H2,1-4H3/t19-/m0/s1
InChIKeySJILYINEMYZWNT-IBGZPJMESA-N
XLogP3.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]-2,2,2-trifluoro-N-methylacetamide
CID 173124325
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 42612329
3-[6-[Tert-butyl(diphenyl)silyl]oxy-4,4-dimethylhexa-1,2-dienyl]-1,3-oxazolidin-2-one
CID 135023889
2,2,2-trifluoroethyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11005148
2,2-difluoroethenyl N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11124492
tert-butyl (6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11155185
tert-butyl N-but-3-enyl-N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxybut-3-en-2-yl]carbamate
CID 11155866
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,5-dihydropyrrole-1-carboxylate
CID 11235964
2-[Tert-butyl(diphenyl)silyl]oxyethyl-methylcarbamic acid
CID 22242797

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate (CID 15483168) is methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate is COC(=O)N1C=CC[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate?
The InChIKey is SJILYINEMYZWNT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29NO3Si/c1-23(2,3)28(20-13-7-5-8-14-20,21-15-9-6-10-16-21)27-18-19-12-11-17-24(19)22(25)26-4/h5-11,13-17,19H,12,18H2,1-4H3/t19-/m0/s1.
What are the key properties of methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate?
methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate has a molecular weight of 395.58 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 15483168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).