[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate

C18H35NO5Si — CID 102532948

IUPAC[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)ON1C(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-12(22-13(2)20)16(24-25(9,10)18(6,7)8)14-11-15(21)23-19(14)17(3,4)5/h12,14,16H,11H2,1-10H3/t12-,14+,16-/m0/s1
InChIKeyMDQAVYNPNUIKGJ-BJJXKVORSA-N
MW373.57 g/mol
LogP3.66
Rot. Bonds5

About [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate

[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate (PubChem CID 102532948) has the molecular formula C18H35NO5Si and a molecular weight of 373.57 g/mol. Its IUPAC name is [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate.

Molecular Properties

Compound Name[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate
PubChem CID102532948
Molecular FormulaC18H35NO5Si
Molecular Weight373.57 g/mol
Exact Mass373.23
IUPAC Name[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)ON1C(C)(C)C
InChIInChI=1S/C18H35NO5Si/c1-12(22-13(2)20)16(24-25(9,10)18(6,7)8)14-11-15(21)23-19(14)17(3,4)5/h12,14,16H,11H2,1-10H3/t12-,14+,16-/m0/s1
InChIKeyMDQAVYNPNUIKGJ-BJJXKVORSA-N
XLogP3.66
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-acetyl-1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141191572
[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate
CID 23254549
1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141372311
[2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl] acetate
CID 19591321
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 70435747
tert-butyl (2R,3R)-2-acetyloxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidine-1-carboxylate
CID 11372630
(2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxooxolane-3-carboxylic acid
CID 10517488
[(2R)-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 123285270
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
[(2S,3R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-trimethylsilylhex-5-yn-3-yl] acetate
CID 101168220
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate?
The IUPAC name of [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate (CID 102532948) is [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate.
What is the SMILES notation for [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate?
The canonical SMILES for [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate is CC(=O)O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)ON1C(C)(C)C.
What is the InChIKey of [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate?
The InChIKey is MDQAVYNPNUIKGJ-BJJXKVORSA-N. The full InChI is InChI=1S/C18H35NO5Si/c1-12(22-13(2)20)16(24-25(9,10)18(6,7)8)14-11-15(21)23-19(14)17(3,4)5/h12,14,16H,11H2,1-10H3/t12-,14+,16-/m0/s1.
What are the key properties of [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate?
[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate has a molecular weight of 373.57 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(3R)-2-tert-butyl-5-oxo-1,2-oxazolidin-3-yl]propan-2-yl] acetate is sourced from PubChem (CID 102532948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).