dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate

C28H37NO5Si — CID 11294892

IUPACdimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
SMILESCC[C@@H]1CC=C(C(=O)OC)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37NO5Si/c1-7-21-18-19-24(26(30)32-5)29(27(31)33-6)25(21)20-34-35(28(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,19,21,25H,7,18,20H2,1-6H3/t21-,25-/m1/s1
InChIKeyXIJLSEOPOBTJCE-PXDATVDWSA-N
MW495.69 g/mol
LogP4.49
Rot. Bonds7

About dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate

dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate (PubChem CID 11294892) has the molecular formula C28H37NO5Si and a molecular weight of 495.69 g/mol. Its IUPAC name is dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
PubChem CID11294892
Molecular FormulaC28H37NO5Si
Molecular Weight495.69 g/mol
Exact Mass495.24
IUPAC Namedimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
SMILESCC[C@@H]1CC=C(C(=O)OC)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H37NO5Si/c1-7-21-18-19-24(26(30)32-5)29(27(31)33-6)25(21)20-34-35(28(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,19,21,25H,7,18,20H2,1-6H3/t21-,25-/m1/s1
InChIKeyXIJLSEOPOBTJCE-PXDATVDWSA-N
XLogP4.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11351825
dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11656404
dimethyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 24787515
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enoate
CID 135070430
1-O-tert-butyl 5-O-methyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2,3-dihydropyrrole-1,5-dicarboxylate
CID 68640757
1-O-tert-butyl 5-O-methyl (3S)-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-4-methyl-2,3-dihydropyrrole-1,5-dicarboxylate
CID 68658539
1-O-tert-butyl 5-O-methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydropyrrole-1,5-dicarboxylate
CID 11179461
methyl (2S,3S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-methylpiperidine-1-carboxylate
CID 11226230
1-O-tert-butyl 5-O-ethyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydropyrrole-1,5-dicarboxylate
CID 11283337
1-O-benzyl 6-O-methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11519560
methyl (E,6S)-7-[tert-butyl(diphenyl)silyl]oxy-6-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-2-enoate
CID 46854192
dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 101010333

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The IUPAC name of dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate (CID 11294892) is dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate.
What is the SMILES notation for dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The canonical SMILES for dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate is CC[C@@H]1CC=C(C(=O)OC)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The InChIKey is XIJLSEOPOBTJCE-PXDATVDWSA-N. The full InChI is InChI=1S/C28H37NO5Si/c1-7-21-18-19-24(26(30)32-5)29(27(31)33-6)25(21)20-34-35(28(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,19,21,25H,7,18,20H2,1-6H3/t21-,25-/m1/s1.
What are the key properties of dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate has a molecular weight of 495.69 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate is sourced from PubChem (CID 11294892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).