tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate

C28H39NO5Si — CID 140749179

IUPACtert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate
SMILESC[C@@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](C=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C28H39NO5Si/c1-21-25(33-22(19-30)18-29(21)26(31)34-27(2,3)4)20-32-35(28(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,19,21-22,25H,18,20H2,1-7H3/t21-,22+,25-/m1/s1
InChIKeyOTHAIUBYOKFDTK-OTNCWRBYSA-N
MW497.71 g/mol
LogP4.15
Rot. Bonds6

About tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate

tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate (PubChem CID 140749179) has the molecular formula C28H39NO5Si and a molecular weight of 497.71 g/mol. Its IUPAC name is tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate
PubChem CID140749179
Molecular FormulaC28H39NO5Si
Molecular Weight497.71 g/mol
Exact Mass497.26
IUPAC Nametert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate
SMILESC[C@@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](C=O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C28H39NO5Si/c1-21-25(33-22(19-30)18-29(21)26(31)34-27(2,3)4)20-32-35(28(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,19,21-22,25H,18,20H2,1-7H3/t21-,22+,25-/m1/s1
InChIKeyOTHAIUBYOKFDTK-OTNCWRBYSA-N
XLogP4.15
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.71
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 16116121
tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]-N-propan-2-ylcarbamate
CID 58007354
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate
CID 66723610
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate
CID 66723611
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylic acid
CID 66723659
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate
CID 66723717
(R)-tert-butyl 3-((tert-butyldiphenylsilyloxy)methyl)morpholine-4-carboxylate
CID 66723718
(S)-tert-butyl 3-((tert-butyldiphenylsilyloxy)methyl)morpholine-4-carboxylate
CID 66723833
tert-butyl (R)-3-(tert-butyldiphenylsilanyloxymethyl)-5-oxomorpholine-4-carboxylate
CID 67466160
Tert-butyl 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)morpholine-4-carboxylate
CID 71226318
(2R,5R)-tert-butyl 5-(((tert-butyldiphenylsilyl)oxy)methyl)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 71226320
Tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate
CID 77297161

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate (CID 140749179) is tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate is C[C@@H]1[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H](C=O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate?
The InChIKey is OTHAIUBYOKFDTK-OTNCWRBYSA-N. The full InChI is InChI=1S/C28H39NO5Si/c1-21-25(33-22(19-30)18-29(21)26(31)34-27(2,3)4)20-32-35(28(5,6)7,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,19,21-22,25H,18,20H2,1-7H3/t21-,22+,25-/m1/s1.
What are the key properties of tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate?
tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate has a molecular weight of 497.71 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formyl-3-methylmorpholine-4-carboxylate is sourced from PubChem (CID 140749179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).