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

C26H37NO4Si — CID 140575289

IUPACtert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H37NO4Si/c1-25(2,3)31-24(28)27-17-18-29-21(19-27)20-30-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21H,17-20H2,1-6H3/t21-/m1/s1
InChIKeyFSRRBGMXHGVGBA-OAQYLSRUSA-N
MW455.67 g/mol
LogP4.20
Rot. Bonds5

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

tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate (PubChem CID 140575289) has the molecular formula C26H37NO4Si and a molecular weight of 455.67 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate
PubChem CID140575289
Molecular FormulaC26H37NO4Si
Molecular Weight455.67 g/mol
Exact Mass455.25
IUPAC Nametert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H37NO4Si/c1-25(2,3)31-24(28)27-17-18-29-21(19-27)20-30-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21H,17-20H2,1-6H3/t21-/m1/s1
InChIKeyFSRRBGMXHGVGBA-OAQYLSRUSA-N
XLogP4.20
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(2R)-2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 58080117
tert-butyl 4-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 58080217
Tert-butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 66723636
Butyl 4-[2-[tert-butyl(diphenyl)silyl]oxy-3-fluoropropyl]piperazine-1-carboxylate
CID 141325288
CID 144324183
CID 144324183
CID 144324241
CID 144324241
Tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]piperazine-1-carboxylate
CID 167508469
(4S,5R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxa-1-azabicyclo[3.1.0]hexan-2-one
CID 10808994
Methyl 4-[tert-butyl(diphenyl)silyl]oxy-2-ethoxypiperidine-1-carboxylate
CID 10983072
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 (4S)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134840091

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate (CID 140575289) is tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate?
The InChIKey is FSRRBGMXHGVGBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H37NO4Si/c1-25(2,3)31-24(28)27-17-18-29-21(19-27)20-30-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,21H,17-20H2,1-6H3/t21-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate?
tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate has a molecular weight of 455.67 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]morpholine-4-carboxylate is sourced from PubChem (CID 140575289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).