(3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate

C29H55NO5Si3 — CID 158116007

IUPAC(3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate
SMILESCC[Si](CC)(CC)OCC(=O)O[Si](CC)(CC)CC.CC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C15H23NO2Si.C14H32O3Si2/c1-4-19(5-2,6-3)18-14-13(16-15(14)17)12-10-8-7-9-11-12;1-7-18(8-2,9-3)16-13-14(15)17-19(10-4,11-5)12-6/h7-11,13-14H,4-6H2,1-3H3,(H,16,17);7-13H2,1-6H3/t13-,14+;/m0./s1
InChIKeyFQZVNAXSCHOGJB-LMRHVHIWSA-N
MW582.02 g/mol
LogP7.80
Rot. Bonds16

About (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate

(3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate (PubChem CID 158116007) has the molecular formula C29H55NO5Si3 and a molecular weight of 582.02 g/mol. Its IUPAC name is (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate.

Molecular Properties

Compound Name(3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate
PubChem CID158116007
Molecular FormulaC29H55NO5Si3
Molecular Weight582.02 g/mol
Exact Mass581.34
IUPAC Name(3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate
SMILESCC[Si](CC)(CC)OCC(=O)O[Si](CC)(CC)CC.CC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C15H23NO2Si.C14H32O3Si2/c1-4-19(5-2,6-3)18-14-13(16-15(14)17)12-10-8-7-9-11-12;1-7-18(8-2,9-3)16-13-14(15)17-19(10-4,11-5)12-6/h7-11,13-14H,4-6H2,1-3H3,(H,16,17);7-13H2,1-6H3/t13-,14+;/m0./s1
InChIKeyFQZVNAXSCHOGJB-LMRHVHIWSA-N
XLogP7.80
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.02
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-phenylazetidin-2-one
CID 101383304
1-benzoyl-4-phenyl-3-triethylsilyloxyazetidin-2-one
CID 15215130
[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] 2,2-dichloroacetate
CID 131857484
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
4-phenyl-3-(2-phenylethoxy)azetidin-2-one
CID 22073347
1-benzoyl-4-(4-bromophenyl)-3-triethylsilyloxyazetidin-2-one
CID 22034413
ethyl (3S,4S,5S)-2-oxo-4,5-diphenylpyrrolidine-3-carboxylate
CID 129438808
(3R,4S)-4-(2-methylpropyl)-3-triethylsilyloxyazetidin-2-one
CID 15895657
1-benzoyl-4-(4-nitrophenyl)-3-triethylsilyloxyazetidin-2-one
CID 22034403
[(2S,3S)-2-(4-nitrophenyl)-4-oxoazetidin-3-yl] benzoate
CID 15419481
(2R,3S)-3,4-dimethyl-2-phenyl-5-triethylsilyl-2,3-dihydro-1H-pyridin-6-one
CID 101052285
ethyl 2-oxo-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91071103

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate?
The IUPAC name of (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate (CID 158116007) is (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate.
What is the SMILES notation for (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate?
The canonical SMILES for (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate is CC[Si](CC)(CC)OCC(=O)O[Si](CC)(CC)CC.CC[Si](CC)(CC)O[C@H]1C(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate?
The InChIKey is FQZVNAXSCHOGJB-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H23NO2Si.C14H32O3Si2/c1-4-19(5-2,6-3)18-14-13(16-15(14)17)12-10-8-7-9-11-12;1-7-18(8-2,9-3)16-13-14(15)17-19(10-4,11-5)12-6/h7-11,13-14H,4-6H2,1-3H3,(H,16,17);7-13H2,1-6H3/t13-,14+;/m0./s1.
What are the key properties of (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate?
(3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate has a molecular weight of 582.02 g/mol, XLogP of 7.80, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenyl-3-triethylsilyloxyazetidin-2-one;triethylsilyl 2-triethylsilyloxyacetate is sourced from PubChem (CID 158116007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).