tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate

C29H43NO4Si — CID 164521788

IUPACtert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(CO)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H43NO4Si/c1-27(2,3)34-26(32)30-21-13-19-29(30,23-31)20-14-22-33-35(28(4,5)6,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,31H,13-14,19-23H2,1-6H3
InChIKeyOSAHECNXHMEREZ-UHFFFAOYSA-N
MW497.75 g/mol
LogP5.11
Rot. Bonds8

About tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 164521788) has the molecular formula C29H43NO4Si and a molecular weight of 497.75 g/mol. Its IUPAC name is tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID164521788
Molecular FormulaC29H43NO4Si
Molecular Weight497.75 g/mol
Exact Mass497.30
IUPAC Nametert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(CO)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H43NO4Si/c1-27(2,3)34-26(32)30-21-13-19-29(30,23-31)20-14-22-33-35(28(4,5)6,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,31H,13-14,19-23H2,1-6H3
InChIKeyOSAHECNXHMEREZ-UHFFFAOYSA-N
XLogP5.11
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.75
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (2S)-2-[(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-iodo-6-methylhept-4-en-2-yl]pyrrolidine-1-carboxylate
CID 11735069
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-hydroxypyrrolidine
CID 44556602
(3r,5s)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639200
(2R/S,5S)-1-(tert-Butoxycarbonyl)-5-(tert-butyldiphenylsilanyloxymethyl)-2-methoxypyrrolidine
CID 10885179
(2S,3R)-1-(tert-Butoxycarbonyl)-2-(tert-butyldiphenylsilanyloxymethyl)-3-vinylpyrrolidine
CID 23726637
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
tert-butyl (2S)-2-[(3R,4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhex-1-en-3-yl]pyrrolidine-1-carboxylate
CID 134956480
(2S,3S,4S)-tert-butyl 3-allyl-2-(((tert-butyldiphenylsilyl)oxy)methyl)-3-hydroxy-2-((methoxymethoxy)methyl)-4-methylpyrrolidine-1-carboxylate
CID 139040654
(3r,5r)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639199
tert-butyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 11293579
tert-butyl (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 10742413
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-1-carboxylate
CID 10769369

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 164521788) is tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1(CO)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is OSAHECNXHMEREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO4Si/c1-27(2,3)34-26(32)30-21-13-19-29(30,23-31)20-14-22-33-35(28(4,5)6,24-15-9-7-10-16-24)25-17-11-8-12-18-25/h7-12,15-18,31H,13-14,19-23H2,1-6H3.
What are the key properties of tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 497.75 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 164521788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).