tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate

C27H37NO5Si — CID 140876026

IUPACtert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-17-21(19-29)32-22(18-28)20-31-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19,21-22H,17-18,20H2,1-6H3/t21?,22-/m0/s1
InChIKeyLFUKEYHAJJRTGL-KEKNWZKVSA-N
MW483.68 g/mol
LogP3.77
Rot. Bonds6

About tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate

tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate (PubChem CID 140876026) has the molecular formula C27H37NO5Si and a molecular weight of 483.68 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate
PubChem CID140876026
Molecular FormulaC27H37NO5Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-17-21(19-29)32-22(18-28)20-31-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19,21-22H,17-18,20H2,1-6H3/t21?,22-/m0/s1
InChIKeyLFUKEYHAJJRTGL-KEKNWZKVSA-N
XLogP3.77
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 53.77
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'}

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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 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
(2R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-2-carboxylic acid
CID 86727733

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate (CID 140876026) is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(C=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate?
The InChIKey is LFUKEYHAJJRTGL-KEKNWZKVSA-N. The full InChI is InChI=1S/C27H37NO5Si/c1-26(2,3)33-25(30)28-17-21(19-29)32-22(18-28)20-31-34(27(4,5)6,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,19,21-22H,17-18,20H2,1-6H3/t21?,22-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate?
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate has a molecular weight of 483.68 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-formylmorpholine-4-carboxylate is sourced from PubChem (CID 140876026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).