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

C25H31NO5Si — CID 101010333

IUPACdimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
SMILESCOC(=O)C1=CCC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C25H31NO5Si/c1-25(2,3)32(19-13-8-6-9-14-19,20-15-10-7-11-16-20)31-22-18-12-17-21(23(27)29-4)26(22)24(28)30-5/h6-11,13-17,22H,12,18H2,1-5H3/t22-/m1/s1
InChIKeyKMFGHWQMRMRWFQ-JOCHJYFZSA-N
MW453.61 g/mol
LogP3.81
Rot. Bonds5

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

dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate (PubChem CID 101010333) has the molecular formula C25H31NO5Si and a molecular weight of 453.61 g/mol. Its IUPAC name is dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
PubChem CID101010333
Molecular FormulaC25H31NO5Si
Molecular Weight453.61 g/mol
Exact Mass453.20
IUPAC Namedimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
SMILESCOC(=O)C1=CCC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C25H31NO5Si/c1-25(2,3)32(19-13-8-6-9-14-19,20-15-10-7-11-16-20)31-22-18-12-17-21(23(27)29-4)26(22)24(28)30-5/h6-11,13-17,22H,12,18H2,1-5H3/t22-/m1/s1
InChIKeyKMFGHWQMRMRWFQ-JOCHJYFZSA-N
XLogP3.81
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 53.81
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
1-O-tert-butyl 5-O-ethyl (3S)-3-[tert-butyl(diphenyl)silyl]oxy-2,3-dihydropyrrole-1,5-dicarboxylate
CID 11283337
dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11294892
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]oxymethyl]-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 101195544
methyl (E)-6-[tert-butyl(diphenyl)silyl]oxy-3-ethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hex-2-enoate
CID 122217414

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The IUPAC name of dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate (CID 101010333) is dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate.
What is the SMILES notation for dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The canonical SMILES for dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate is COC(=O)C1=CCC[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The InChIKey is KMFGHWQMRMRWFQ-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31NO5Si/c1-25(2,3)32(19-13-8-6-9-14-19,20-15-10-7-11-16-20)31-22-18-12-17-21(23(27)29-4)26(22)24(28)30-5/h6-11,13-17,22H,12,18H2,1-5H3/t22-/m1/s1.
What are the key properties of dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate has a molecular weight of 453.61 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate is sourced from PubChem (CID 101010333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).