(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one

C23H37NO2Si2 — CID 18650168

IUPAC(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C23H37NO2Si2/c1-17(26-28(8,9)23(2,3)4)20-21(24-22(20)25)19(15-16-27(5,6)7)18-13-11-10-12-14-18/h10-14,17,19-21H,1-9H3,(H,24,25)/t17-,19+,20-,21-/m1/s1
InChIKeyXPAWBVCNYOMWFZ-GFOJFJKKSA-N
MW415.73 g/mol
LogP5.18
Rot. Bonds5

About (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one (PubChem CID 18650168) has the molecular formula C23H37NO2Si2 and a molecular weight of 415.73 g/mol. Its IUPAC name is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one
PubChem CID18650168
Molecular FormulaC23H37NO2Si2
Molecular Weight415.73 g/mol
Exact Mass415.24
IUPAC Name(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one
SMILESC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C#C[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C23H37NO2Si2/c1-17(26-28(8,9)23(2,3)4)20-21(24-22(20)25)19(15-16-27(5,6)7)18-13-11-10-12-14-18/h10-14,17,19-21H,1-9H3,(H,24,25)/t17-,19+,20-,21-/m1/s1
InChIKeyXPAWBVCNYOMWFZ-GFOJFJKKSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.73
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-phenylazetidin-2-one
CID 10913780
(2S)-N-[(1R)-1-phenylethyl]-2-[(1R)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 11750809
(2R)-N-[(1R)-1-phenylethyl]-2-[(1S)-1-tri(propan-2-yl)silyloxyprop-2-enyl]hexanamide
CID 134917964
(1R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 134942888
(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-phenylazetidin-2-one
CID 135070018
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(3-phenylprop-2-ynyl)azetidin-2-one
CID 135078685
(3S,4S)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-naphthalen-1-ylpropa-1,2-dienyl)azetidin-2-one
CID 135080040
(5S)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentyl]pyrrolidin-2-one
CID 138981266
(4S,5R)-5-benzyl-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-one
CID 10590723
(3S,4S)-4-benzoyl-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 11142197
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(1-phenylprop-2-ynyl)azetidin-2-one
CID 12162959
(3S,4R)-3-[(1R)-1-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxyethyl]-4-(2-phenyl-2-sulfanylideneethyl)azetidin-2-one
CID 13685238

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one (CID 18650168) is (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one is C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N[C@@H]1[C@@H](C#C[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one?
The InChIKey is XPAWBVCNYOMWFZ-GFOJFJKKSA-N. The full InChI is InChI=1S/C23H37NO2Si2/c1-17(26-28(8,9)23(2,3)4)20-21(24-22(20)25)19(15-16-27(5,6)7)18-13-11-10-12-14-18/h10-14,17,19-21H,1-9H3,(H,24,25)/t17-,19+,20-,21-/m1/s1.
What are the key properties of (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one?
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one has a molecular weight of 415.73 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(1R)-1-phenyl-3-trimethylsilylprop-2-ynyl]azetidin-2-one is sourced from PubChem (CID 18650168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).