1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

C25H49NO6Si2 — CID 11466456

IUPAC1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C25H49NO6Si2/c1-23(2,3)31-22(28)26-16-19(21(27)29-10)20(32-34(13,14)25(7,8)9)15-18(26)17-30-33(11,12)24(4,5)6/h18H,15-17H2,1-14H3/t18-/m0/s1
InChIKeyXNUIAXAWYRHOHY-SFHVURJKSA-N
MW515.84 g/mol
LogP6.47
Rot. Bonds6

About 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate

1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate (PubChem CID 11466456) has the molecular formula C25H49NO6Si2 and a molecular weight of 515.84 g/mol. Its IUPAC name is 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
PubChem CID11466456
Molecular FormulaC25H49NO6Si2
Molecular Weight515.84 g/mol
Exact Mass515.31
IUPAC Name1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCOC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C25H49NO6Si2/c1-23(2,3)31-22(28)26-16-19(21(27)29-10)20(32-34(13,14)25(7,8)9)15-18(26)17-30-33(11,12)24(4,5)6/h18H,15-17H2,1-14H3/t18-/m0/s1
InChIKeyXNUIAXAWYRHOHY-SFHVURJKSA-N
XLogP6.47
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.84
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate (CID 11466456) is 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate is COC(=O)C1=C(O[Si](C)(C)C(C)(C)C)C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The InChIKey is XNUIAXAWYRHOHY-SFHVURJKSA-N. The full InChI is InChI=1S/C25H49NO6Si2/c1-23(2,3)31-22(28)26-16-19(21(27)29-10)20(32-34(13,14)25(7,8)9)15-18(26)17-30-33(11,12)24(4,5)6/h18H,15-17H2,1-14H3/t18-/m0/s1.
What are the key properties of 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate has a molecular weight of 515.84 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 5-O-methyl (2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dihydro-2H-pyridine-1,5-dicarboxylate is sourced from PubChem (CID 11466456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).