benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate

C32H55NO5Si2 — CID 46894526

IUPACbenzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)[Si](OCCCC1=CC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C32H55NO5Si2/c1-24(2)40(25(3)4,26(5)6)37-19-15-18-28-20-30(34)21-29(23-38-39(10,11)32(7,8)9)33(28)31(35)36-22-27-16-13-12-14-17-27/h12-14,16-17,20,24-26,29H,15,18-19,21-23H2,1-11H3/t29-/m1/s1
InChIKeyFCFDQQXEUHRWEY-GDLZYMKVSA-N
MW589.97 g/mol
LogP8.84
Rot. Bonds13

About benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate

benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate (PubChem CID 46894526) has the molecular formula C32H55NO5Si2 and a molecular weight of 589.97 g/mol. Its IUPAC name is benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate
PubChem CID46894526
Molecular FormulaC32H55NO5Si2
Molecular Weight589.97 g/mol
Exact Mass589.36
IUPAC Namebenzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate
SMILESCC(C)[Si](OCCCC1=CC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C32H55NO5Si2/c1-24(2)40(25(3)4,26(5)6)37-19-15-18-28-20-30(34)21-29(23-38-39(10,11)32(7,8)9)33(28)31(35)36-22-27-16-13-12-14-17-27/h12-14,16-17,20,24-26,29H,15,18-19,21-23H2,1-11H3/t29-/m1/s1
InChIKeyFCFDQQXEUHRWEY-GDLZYMKVSA-N
XLogP8.84
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.97
LogP ≤ 58.84
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'}

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Related Compounds

benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
3-O-benzyl 1-O-ethyl (5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-oxopyrrolidine-1,3-dicarboxylate
CID 10410733
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-hydroxy-7-methyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11846416
benzyl (3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-cyanopiperazine-1-carboxylate
CID 140869942
benzyl 2-(3-chloropropyl)-6-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 11034607
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
benzyl (2R,3R,4S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethoxy-3,4,5-trihydroxypiperidine-1-carboxylate
CID 11178555
benzyl (2S,3aS,6aR)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 162782558
benzyl (2R,3R)-2-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-phenylazetidine-1-carboxylate
CID 11730152
dibenzyl 5-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]piperidine-1,3-dicarboxylate
CID 177236675
benzyl 4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-oxo-1,4-diazepane-1-carboxylate
CID 67074343

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate (CID 46894526) is benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate is CC(C)[Si](OCCCC1=CC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)N1C(=O)OCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate?
The InChIKey is FCFDQQXEUHRWEY-GDLZYMKVSA-N. The full InChI is InChI=1S/C32H55NO5Si2/c1-24(2)40(25(3)4,26(5)6)37-19-15-18-28-20-30(34)21-29(23-38-39(10,11)32(7,8)9)33(28)31(35)36-22-27-16-13-12-14-17-27/h12-14,16-17,20,24-26,29H,15,18-19,21-23H2,1-11H3/t29-/m1/s1.
What are the key properties of benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate?
benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate has a molecular weight of 589.97 g/mol, XLogP of 8.84, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxo-6-[3-tri(propan-2-yl)silyloxypropyl]-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 46894526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).