tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate

C27H39NO5Si — CID 71226320

IUPACtert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](CO)OC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO5Si/c1-26(2,3)33-25(30)28-17-22(18-29)31-19-21(28)20-32-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,29H,17-20H2,1-6H3/t21-,22-/m1/s1
InChIKeyPEBJBELIPWXTMT-FGZHOGPDSA-N
MW485.70 g/mol
LogP3.56
Rot. Bonds6

About tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate

tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 71226320) has the molecular formula C27H39NO5Si and a molecular weight of 485.70 g/mol. Its IUPAC name is tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID71226320
Molecular FormulaC27H39NO5Si
Molecular Weight485.70 g/mol
Exact Mass485.26
IUPAC Nametert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](CO)OC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H39NO5Si/c1-26(2,3)33-25(30)28-17-22(18-29)31-19-21(28)20-32-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,29H,17-20H2,1-6H3/t21-,22-/m1/s1
InChIKeyPEBJBELIPWXTMT-FGZHOGPDSA-N
XLogP3.56
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate (CID 71226320) is tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1C[C@H](CO)OC[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is PEBJBELIPWXTMT-FGZHOGPDSA-N. The full InChI is InChI=1S/C27H39NO5Si/c1-26(2,3)33-25(30)28-17-22(18-29)31-19-21(28)20-32-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,29H,17-20H2,1-6H3/t21-,22-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate?
tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate has a molecular weight of 485.70 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 71226320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).