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

C20H41NO5Si2 — CID 42642875

IUPACmethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C=C1COCOCC[Si](C)(C)C
InChIInChI=1S/C20H41NO5Si2/c1-20(2,3)28(8,9)26-18-10-11-21(19(22)23-4)17(14-18)15-25-16-24-12-13-27(5,6)7/h14,18H,10-13,15-16H2,1-9H3/t18-/m1/s1
InChIKeyYBSGOQHPEJMMFO-GOSISDBHSA-N
MW431.72 g/mol
LogP5.06
Rot. Bonds9

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

methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 42642875) has the molecular formula C20H41NO5Si2 and a molecular weight of 431.72 g/mol. Its IUPAC name is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID42642875
Molecular FormulaC20H41NO5Si2
Molecular Weight431.72 g/mol
Exact Mass431.25
IUPAC Namemethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C=C1COCOCC[Si](C)(C)C
InChIInChI=1S/C20H41NO5Si2/c1-20(2,3)28(8,9)26-18-10-11-21(19(22)23-4)17(14-18)15-25-16-24-12-13-27(5,6)7/h14,18H,10-13,15-16H2,1-9H3/t18-/m1/s1
InChIKeyYBSGOQHPEJMMFO-GOSISDBHSA-N
XLogP5.06
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.72
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-trimethylsilylethyl (4S,5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxyoxazinane-2-carboxylate
CID 15747789
[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol
CID 46193781
dimethyl (4aR,5R,5aS,11aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,4,4a,5,5a,11a-hexahydro-2H-pyrido[3,2-b]carbazole-1,6-dicarboxylate
CID 11016193
[(1R)-1,3-diphenylpropyl] 1-[3,3-dimethyl-2-oxo-4-(2-trimethylsilylethoxymethoxy)butanoyl]piperidine-2-carboxylate
CID 67632989
1,3-diphenylpropyl (2S)-1-[3,3-dimethyl-2-oxo-4-(2-trimethylsilylethoxymethoxy)butanoyl]piperidine-2-carboxylate
CID 67575282
2-trimethylsilylethyl 5-(hydroxymethyl)-2,3-dihydropyrrole-1-carboxylate
CID 175906398
methyl 3-[tert-butyl(dimethyl)silyl]oxy-3,6-dihydrooxazine-2-carboxylate
CID 14774930
methyl N-[4-[tert-butyl(dimethyl)silyl]oxy-1-(2-trimethylsilylethoxymethoxy)hex-2-en-2-yl]-N-ethylcarbamate
CID 135012782
methyl (3aR,6R,7R,7aS)-7-hydroxy-2,2-dimethyl-6-(2-trimethylsilylethoxymethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 57413255
1-cyclohexyl-2-(2-trimethylsilylethoxymethoxy)ethanone
CID 11471281
methyl (E)-3-[4-methoxy-3-(oxan-2-yloxymethyl)-6-oxo-5-(2-trimethylsilylethoxymethoxymethyl)pyran-2-yl]prop-2-enoate
CID 10885376
butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid
CID 22281267

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 42642875) is methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C=C1COCOCC[Si](C)(C)C.
What is the InChIKey of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is YBSGOQHPEJMMFO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H41NO5Si2/c1-20(2,3)28(8,9)26-18-10-11-21(19(22)23-4)17(14-18)15-25-16-24-12-13-27(5,6)7/h14,18H,10-13,15-16H2,1-9H3/t18-/m1/s1.
What are the key properties of methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 431.72 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 42642875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).