tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate

C29H41NO5Si — CID 140876044

IUPACtert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCC=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C29H41NO5Si/c1-28(2,3)35-27(32)30-20-23(14-13-19-31)34-24(21-30)22-33-36(29(4,5)6,25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-19,23-24H,13-14,20-22H2,1-6H3/t23?,24-/m0/s1
InChIKeyCPNGBIYTRDUHHQ-CGAIIQECSA-N
MW511.74 g/mol
LogP4.55
Rot. Bonds8

About tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate

tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate (PubChem CID 140876044) has the molecular formula C29H41NO5Si and a molecular weight of 511.74 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate
PubChem CID140876044
Molecular FormulaC29H41NO5Si
Molecular Weight511.74 g/mol
Exact Mass511.28
IUPAC Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CCC=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C29H41NO5Si/c1-28(2,3)35-27(32)30-20-23(14-13-19-31)34-24(21-30)22-33-36(29(4,5)6,25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-19,23-24H,13-14,20-22H2,1-6H3/t23?,24-/m0/s1
InChIKeyCPNGBIYTRDUHHQ-CGAIIQECSA-N
XLogP4.55
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.74
LogP ≤ 54.55
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 N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate
CID 57327215
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxopiperidine-1-carboxylate
CID 11730345
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 (2R)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholine-4-carboxylate
CID 68069800
tert-butyl (2S)-2-[3-[hydroxy(diphenyl)silyl]-3-methylbutyl]morpholine-4-carboxylate
CID 68069801
tert-Butyl 4-{[tert-butyl(diphenyl)silyl]oxy}piperidine-1-carboxylate
CID 86661577
tert-butyl (2R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 90687149
tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylpyrrolidine-1-carboxylate
CID 90841927
(+/-)-Tert-butyl 4-((tert-butyldiphenylsilyl)oxy)-2-oxopiperidine-1-carboxylate
CID 131747984
(+/-)-Tert-butyl 5-((tert-butyldiphenylsilyl)oxy)-2-oxopiperidine-1-carboxylate
CID 131747989

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate (CID 140876044) is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(CCC=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-(3-oxopropyl)morpholine-4-carboxylate?
The InChIKey is CPNGBIYTRDUHHQ-CGAIIQECSA-N. The full InChI is InChI=1S/C29H41NO5Si/c1-28(2,3)35-27(32)30-20-23(14-13-19-31)34-24(21-30)22-33-36(29(4,5)6,25-15-9-7-10-16-25)26-17-11-8-12-18-26/h7-12,15-19,23-24H,13-14,20-22H2,1-6H3/t23?,24-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate?
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(3-oxopropyl)morpholine-4-carboxylate has a molecular weight of 511.74 g/mol, XLogP of 4.55, 8 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-(3-oxopropyl)morpholine-4-carboxylate is sourced from PubChem (CID 140876044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).