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

C29H39NO5Si — CID 11656404

IUPACdimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
SMILESCCC[C@@H]1CC=C(C(=O)OC)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H39NO5Si/c1-7-14-22-19-20-25(27(31)33-5)30(28(32)34-6)26(22)21-35-36(29(2,3)4,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-13,15-18,20,22,26H,7,14,19,21H2,1-6H3/t22-,26-/m1/s1
InChIKeyVYYKOLZRIOTTNP-ATIYNZHBSA-N
MW509.72 g/mol
LogP4.88
Rot. Bonds8

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

dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate (PubChem CID 11656404) has the molecular formula C29H39NO5Si and a molecular weight of 509.72 g/mol. Its IUPAC name is dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
PubChem CID11656404
Molecular FormulaC29H39NO5Si
Molecular Weight509.72 g/mol
Exact Mass509.26
IUPAC Namedimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
SMILESCCC[C@@H]1CC=C(C(=O)OC)N(C(=O)OC)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H39NO5Si/c1-7-14-22-19-20-25(27(31)33-5)30(28(32)34-6)26(22)21-35-36(29(2,3)4,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-13,15-18,20,22,26H,7,14,19,21H2,1-6H3/t22-,26-/m1/s1
InChIKeyVYYKOLZRIOTTNP-ATIYNZHBSA-N
XLogP4.88
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.72
LogP ≤ 54.88
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
methyl (2S,3R,5S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-ethenyl-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-3-propylpiperidine-1-carboxylate
CID 11585040
dimethyl (4R)-4-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 24787515
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
dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11294892
1-O-benzyl 6-O-methyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 11519560
methyl (2S,3R)-3-butyl-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 12177406
dimethyl (2R)-2-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 101010333
dimethyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyridine-1,6-dicarboxylate
CID 101195544

Frequently Asked Questions

What is the IUPAC name of dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The IUPAC name of dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate (CID 11656404) is dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate.
What is the SMILES notation for dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The canonical SMILES for dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate is CCC[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-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The InChIKey is VYYKOLZRIOTTNP-ATIYNZHBSA-N. The full InChI is InChI=1S/C29H39NO5Si/c1-7-14-22-19-20-25(27(31)33-5)30(28(32)34-6)26(22)21-35-36(29(2,3)4,23-15-10-8-11-16-23)24-17-12-9-13-18-24/h8-13,15-18,20,22,26H,7,14,19,21H2,1-6H3/t22-,26-/m1/s1.
What are the key properties of dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
dimethyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate has a molecular weight of 509.72 g/mol, XLogP of 4.88, 8 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-propyl-3,4-dihydro-2H-pyridine-1,6-dicarboxylate is sourced from PubChem (CID 11656404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).