(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one

C23H37NO2Si — CID 101353143

IUPAC(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one
SMILESCN1C(=O)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)C=C[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H37NO2Si/c1-23(2,3)27(5,6)26-17-11-10-14-20-15-16-21(24(4)22(20)25)18-19-12-8-7-9-13-19/h7-9,12-13,15-16,20-21H,10-11,14,17-18H2,1-6H3/t20-,21+/m0/s1
InChIKeyKDOMBHCYWBORRB-LEWJYISDSA-N
MW387.64 g/mol
LogP5.43
Rot. Bonds8

About (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one

(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one (PubChem CID 101353143) has the molecular formula C23H37NO2Si and a molecular weight of 387.64 g/mol. Its IUPAC name is (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one
PubChem CID101353143
Molecular FormulaC23H37NO2Si
Molecular Weight387.64 g/mol
Exact Mass387.26
IUPAC Name(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one
SMILESCN1C(=O)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)C=C[C@@H]1Cc1ccccc1
InChIInChI=1S/C23H37NO2Si/c1-23(2,3)27(5,6)26-17-11-10-14-20-15-16-21(24(4)22(20)25)18-19-12-8-7-9-13-19/h7-9,12-13,15-16,20-21H,10-11,14,17-18H2,1-6H3/t20-,21+/m0/s1
InChIKeyKDOMBHCYWBORRB-LEWJYISDSA-N
XLogP5.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.64
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one?
The IUPAC name of (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one (CID 101353143) is (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one.
What is the SMILES notation for (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one?
The canonical SMILES for (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one is CN1C(=O)[C@@H](CCCCO[Si](C)(C)C(C)(C)C)C=C[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one?
The InChIKey is KDOMBHCYWBORRB-LEWJYISDSA-N. The full InChI is InChI=1S/C23H37NO2Si/c1-23(2,3)27(5,6)26-17-11-10-14-20-15-16-21(24(4)22(20)25)18-19-12-8-7-9-13-19/h7-9,12-13,15-16,20-21H,10-11,14,17-18H2,1-6H3/t20-,21+/m0/s1.
What are the key properties of (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one?
(2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one has a molecular weight of 387.64 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-methyl-2,5-dihydropyridin-6-one is sourced from PubChem (CID 101353143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).