(2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde

C26H45NO4Si2 — CID 135012518

IUPAC(2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde
SMILESCC[Si](CC)(CC)O[C@H](C=O)[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C26H45NO4Si2/c1-9-33(10-2,11-3)31-23(20-28)25-22(30-32(7,8)26(4,5)6)17-18-24(29)27(25)19-21-15-13-12-14-16-21/h12-16,20,22-23,25H,9-11,17-19H2,1-8H3/t22-,23+,25-/m0/s1
InChIKeyNYCOVFYRHFAYII-ARNLJNQMSA-N
MW491.82 g/mol
LogP6.16
Rot. Bonds11

About (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde

(2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde (PubChem CID 135012518) has the molecular formula C26H45NO4Si2 and a molecular weight of 491.82 g/mol. Its IUPAC name is (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde.

Molecular Properties

Compound Name(2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde
PubChem CID135012518
Molecular FormulaC26H45NO4Si2
Molecular Weight491.82 g/mol
Exact Mass491.29
IUPAC Name(2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde
SMILESCC[Si](CC)(CC)O[C@H](C=O)[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C26H45NO4Si2/c1-9-33(10-2,11-3)31-23(20-28)25-22(30-32(7,8)26(4,5)6)17-18-24(29)27(25)19-21-15-13-12-14-16-21/h12-16,20,22-23,25H,9-11,17-19H2,1-8H3/t22-,23+,25-/m0/s1
InChIKeyNYCOVFYRHFAYII-ARNLJNQMSA-N
XLogP6.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.82
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(2S)-1-benzyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 101725178
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]piperidin-2-one
CID 135012517
1-[2-[Tert-butyl(dimethyl)silyl]oxy-1-(4-trimethylsilylphenyl)ethyl]piperidin-2-one
CID 58122420
(2R)-2-methyl-4-[2-oxo-4-phenyl-3-tri(propan-2-yl)silyloxyazetidin-1-yl]butanal
CID 88364945
4-Benzyl-5-({[tert-butyl(dimethyl)silyl]oxy}methyl)-2-(2-hydroxypropyl)-2-methylmorpholin-3-one
CID 131747385
1-Benzyl-5-butoxy-6-(butoxymethyl)piperidin-2-one
CID 132108618
(R)-1-Benzyl-6-(((tert-butyldimethylsilyl)oxy)methyl)piperidin-2-one
CID 162391388
1-Benzyl-6-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
CID 173886558
(5S,6S)-1-benzyl-6-(bromomethyl)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 10319470
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
CID 10337911
2-[(2R,3S,4R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopyrrolidin-2-yl]acetaldehyde
CID 10390301
(2S)-2-[(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidin-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 11581342

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde?
The IUPAC name of (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde (CID 135012518) is (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde.
What is the SMILES notation for (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde?
The canonical SMILES for (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde is CC[Si](CC)(CC)O[C@H](C=O)[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde?
The InChIKey is NYCOVFYRHFAYII-ARNLJNQMSA-N. The full InChI is InChI=1S/C26H45NO4Si2/c1-9-33(10-2,11-3)31-23(20-28)25-22(30-32(7,8)26(4,5)6)17-18-24(29)27(25)19-21-15-13-12-14-16-21/h12-16,20,22-23,25H,9-11,17-19H2,1-8H3/t22-,23+,25-/m0/s1.
What are the key properties of (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde?
(2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde has a molecular weight of 491.82 g/mol, XLogP of 6.16, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,3S)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-6-oxopiperidin-2-yl]-2-triethylsilyloxyacetaldehyde is sourced from PubChem (CID 135012518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).