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

C27H39NO5Si — CID 140876043

IUPACtert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H39NO5Si/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/h7-16,21-22,29H,17-20H2,1-6H3/t21?,22-/m0/s1
InChIKeyUUBBBMFXOULNPN-KEKNWZKVSA-N
MW485.70 g/mol
LogP3.56
Rot. Bonds6

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

tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 140876043) has the molecular formula C27H39NO5Si and a molecular weight of 485.70 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID140876043
Molecular FormulaC27H39NO5Si
Molecular Weight485.70 g/mol
Exact Mass485.26
IUPAC Nametert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CO)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C27H39NO5Si/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/h7-16,21-22,29H,17-20H2,1-6H3/t21?,22-/m0/s1
InChIKeyUUBBBMFXOULNPN-KEKNWZKVSA-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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Related Compounds

(3r,5s)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639200
tert-butyl 3-[tert-butyl(diphenyl)silyl]oxy-5-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 25178002
tert-butyl (3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypiperidine-1-carboxylate
CID 101467337
tert-butyl (4R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)piperidine-1-carboxylate
CID 135067649
tert-butyl (4S)-4-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 146169719
(3r,5r)-t-Butyl 3-((t-butyldiphenylsilyl)oxy)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 153639199
tert-butyl (4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11016561
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
tert-butyl N-[(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]-N-propan-2-ylcarbamate
CID 58006908
tert-butyl N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl]-N-propan-2-ylcarbamate
CID 58007354
1-[Tert-butyl(diphenyl)silyl]oxy-4-morpholin-4-ylbutan-2-ol
CID 58391204
t-Butyl N-[2-(t-butyldiphenylsilyloxy)ethyl]-N-(2-hydroxyethyl)carbamate
CID 59750865

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate (CID 140876043) is tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CC(CO)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-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is UUBBBMFXOULNPN-KEKNWZKVSA-N. The full InChI is InChI=1S/C27H39NO5Si/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/h7-16,21-22,29H,17-20H2,1-6H3/t21?,22-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate?
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(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 (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 140876043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).