butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

C26H37NO3Si — CID 175819406

IUPACbutyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H37NO3Si/c1-5-6-19-29-25(28)27-18-17-22(20-27)21-30-31(26(2,3)4,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22H,5-6,17-21H2,1-4H3/t22-/m1/s1
InChIKeyMYZYCYYVWBTOQA-JOCHJYFZSA-N
MW439.67 g/mol
LogP4.82
Rot. Bonds8

About butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate

butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 175819406) has the molecular formula C26H37NO3Si and a molecular weight of 439.67 g/mol. Its IUPAC name is butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
PubChem CID175819406
Molecular FormulaC26H37NO3Si
Molecular Weight439.67 g/mol
Exact Mass439.25
IUPAC Namebutyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H37NO3Si/c1-5-6-19-29-25(28)27-18-17-22(20-27)21-30-31(26(2,3)4,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22H,5-6,17-21H2,1-4H3/t22-/m1/s1
InChIKeyMYZYCYYVWBTOQA-JOCHJYFZSA-N
XLogP4.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.67
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
butyl 4-amino-3-phenylpiperidine-1-carboxylate
CID 155601155
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
tert-butyl-[(4-octoxycyclohexyl)methoxy]-diphenylsilane
CID 163204350
butyl 3-hydroxy-4-(3-phenylpropyl)piperidine-1-carboxylate
CID 70214162
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
butyl 3-[[2-cyano-3-(sulfamoylmethyl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 66748141
butyl 3-phenylpiperazine-1-carboxylate
CID 82246377
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 155658340
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
butyl 8-(2-phenylpropan-2-yl)-3,8-diazabicyclo[3.2.1]oct-6-ene-3-carboxylate
CID 175794942
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987

Frequently Asked Questions

What is the IUPAC name of butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate (CID 175819406) is butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is CCCCOC(=O)N1CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is MYZYCYYVWBTOQA-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H37NO3Si/c1-5-6-19-29-25(28)27-18-17-22(20-27)21-30-31(26(2,3)4,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,22H,5-6,17-21H2,1-4H3/t22-/m1/s1.
What are the key properties of butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate?
butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 439.67 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 175819406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).