benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate

C30H33NO4Si — CID 46846086

IUPACbenzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@H]1C=CC(=O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO4Si/c1-30(2,3)36(26-15-9-5-10-16-26,27-17-11-6-12-18-27)35-23-25-19-20-28(32)31(21-25)29(33)34-22-24-13-7-4-8-14-24/h4-20,25H,21-23H2,1-3H3/t25-/m0/s1
InChIKeyXLLSOAFBHFREDN-VWLOTQADSA-N
MW499.68 g/mol
LogP4.91
Rot. Bonds7

About benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate

benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 46846086) has the molecular formula C30H33NO4Si and a molecular weight of 499.68 g/mol. Its IUPAC name is benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID46846086
Molecular FormulaC30H33NO4Si
Molecular Weight499.68 g/mol
Exact Mass499.22
IUPAC Namebenzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)(C)[Si](OC[C@H]1C=CC(=O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H33NO4Si/c1-30(2,3)36(26-15-9-5-10-16-26,27-17-11-6-12-18-27)35-23-25-19-20-28(32)31(21-25)29(33)34-22-24-13-7-4-8-14-24/h4-20,25H,21-23H2,1-3H3/t25-/m0/s1
InChIKeyXLLSOAFBHFREDN-VWLOTQADSA-N
XLogP4.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.91
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

benzyl N-acetyl-N-(3-phenylmethoxypropyl)carbamate
CID 140314310
benzyl (3R,4S)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 156730743
benzyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-N-methylcarbamate
CID 168947827
benzyl (3S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 173937391
Benzyl 4-[tert-butyl(diphenyl)silyl]oxy-3-fluoropiperidine-1-carboxylate
CID 173937392
benzyl N-[(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]carbamate
CID 46845979
benzyl (5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-oxopiperidine-1-carboxylate
CID 46846085
tert-butyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-oxo-2-(trityloxymethyl)-2,3-dihydropyridine-1-carboxylate
CID 71817266
benzyl (2R)-2-methyl-3,3-diphenyl-1,3-azasilinane-1-carboxylate
CID 101524665
(r)-Benzyl-3,3-diphenyl-2-propyl-1,3-azasilepane-1-carboxylate
CID 101524666
2-Oxo-5,6-dihydro-2h-pyridine-1,3-dicarboxylic acid dibenzyl ester
CID 102377465
benzyl 4-[(E)-5-[dimethyl(phenyl)silyl]oct-4-en-4-yl]piperidine-1-carboxylate
CID 134962211

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate (CID 46846086) is benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate is CC(C)(C)[Si](OC[C@H]1C=CC(=O)N(C(=O)OCc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is XLLSOAFBHFREDN-VWLOTQADSA-N. The full InChI is InChI=1S/C30H33NO4Si/c1-30(2,3)36(26-15-9-5-10-16-26,27-17-11-6-12-18-27)35-23-25-19-20-28(32)31(21-25)29(33)34-22-24-13-7-4-8-14-24/h4-20,25H,21-23H2,1-3H3/t25-/m0/s1.
What are the key properties of benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate?
benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 499.68 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 46846086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).