[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate

C23H51NO3Si3 — CID 553807

IUPAC[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H51NO3Si3/c1-21(2,3)28(10,11)24-17-18(26-29(12,13)22(4,5)6)16-19(24)20(25)27-30(14,15)23(7,8)9/h18-19H,16-17H2,1-15H3
InChIKeyKUSFEDKRGCEAAT-UHFFFAOYSA-N
MW473.92 g/mol
LogP7.00
Rot. Bonds5

About [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate

[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate (PubChem CID 553807) has the molecular formula C23H51NO3Si3 and a molecular weight of 473.92 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
PubChem CID553807
Molecular FormulaC23H51NO3Si3
Molecular Weight473.92 g/mol
Exact Mass473.32
IUPAC Name[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H51NO3Si3/c1-21(2,3)28(10,11)24-17-18(26-29(12,13)22(4,5)6)16-19(24)20(25)27-30(14,15)23(7,8)9/h18-19H,16-17H2,1-15H3
InChIKeyKUSFEDKRGCEAAT-UHFFFAOYSA-N
XLogP7.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.92
LogP ≤ 57.00
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

L-Proline, 1-(trimethylsilyl)-4-[(trimethylsilyl)oxy]-, trimethylsilyl ester, trans-
CID 615392
L-Proline, 1-(tert-butyldimethylsilyl)-, tert-butyldimethylsilyl ester
CID 22212019
Trimethylsiloxy(trimethylsilyl)proline
CID 594032
(4R)-1-(Trimethylsilyl)-4-(trimethylsilyloxy)-L-proline trimethylsilyl ester
CID 21632773
trimethylsilyl (2S,4R)-4-(trimethylsilyoxy)pyrrolidine-2-carboxylate
CID 86659214
OH-Pro, TBDMS
CID 529527
2-O-[tert-butyl(dimethyl)silyl] 1-O-(2-methylpropyl) (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-1,2-dicarboxylate
CID 91749261
EtOCO-DL-xiHyp(TBDMS)-OTBDMS
CID 91752606
tert-Butyl(dimethyl)silyl 1-[tert-butyl(dimethyl)silyl]-2-pyrrolidinecarboxylate
CID 528064
L-Proline, 4-[(tert-butyldimethylsilyl)oxy]-, tert-butyldimethylsilyl ester
CID 553383
3-Hydroxyproline, N,O,O'-tris(trimethylsilyl)-
CID 553535
methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-ide-2-carboxylate
CID 57963840

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate (CID 553807) is [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)C1CC(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
The InChIKey is KUSFEDKRGCEAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO3Si3/c1-21(2,3)28(10,11)24-17-18(26-29(12,13)22(4,5)6)16-19(24)20(25)27-30(14,15)23(7,8)9/h18-19H,16-17H2,1-15H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate?
[tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate has a molecular weight of 473.92 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 1-[tert-butyl(dimethyl)silyl]-4-[tert-butyl(dimethyl)silyl]oxypyrrolidine-2-carboxylate is sourced from PubChem (CID 553807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).