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

C15H29NO5Si — CID 23254549

IUPAC[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate
SMILESCC(=O)OC[C@H](C[C@@H]1CC(=O)ON1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO5Si/c1-11(17)19-10-13(21-22(6,7)15(2,3)4)8-12-9-14(18)20-16(12)5/h12-13H,8-10H2,1-7H3/t12-,13+/m1/s1
InChIKeyYTNUWGYCPWEIIT-OLZOCXBDSA-N
MW331.49 g/mol
LogP2.49
Rot. Bonds6

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

[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate (PubChem CID 23254549) has the molecular formula C15H29NO5Si and a molecular weight of 331.49 g/mol. Its IUPAC name is [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate.

Molecular Properties

Compound Name[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate
PubChem CID23254549
Molecular FormulaC15H29NO5Si
Molecular Weight331.49 g/mol
Exact Mass331.18
IUPAC Name[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate
SMILESCC(=O)OC[C@H](C[C@@H]1CC(=O)ON1C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO5Si/c1-11(17)19-10-13(21-22(6,7)15(2,3)4)8-12-9-14(18)20-16(12)5/h12-13H,8-10H2,1-7H3/t12-,13+/m1/s1
InChIKeyYTNUWGYCPWEIIT-OLZOCXBDSA-N
XLogP2.49
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 52.49
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

[(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
[3-[tert-butyl(dimethyl)silyl]oxy-2-cyclobutylpropyl] acetate
CID 140781546
[(2R)-3-acetyloxy-2-[tert-butyl(dimethyl)silyl]oxypropyl] (Z)-octadec-9-enoate
CID 45101778
1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141372311
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
(4R)-4-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxetan-2-one
CID 134892692
(4R)-4-acetyl-1-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141191572
tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate
CID 87348682
(3S,4S)-4-[(2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-methyloxetan-2-one
CID 10500503
[(5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]thiolan-2-yl] acetate
CID 10812763
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 70435747
(5S)-5-[(1S)-2-bromo-1-[tert-butyl(dimethyl)silyl]oxyethyl]oxolan-2-one
CID 100999051

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate?
The IUPAC name of [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate (CID 23254549) is [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate.
What is the SMILES notation for [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate?
The canonical SMILES for [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate is CC(=O)OC[C@H](C[C@@H]1CC(=O)ON1C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate?
The InChIKey is YTNUWGYCPWEIIT-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H29NO5Si/c1-11(17)19-10-13(21-22(6,7)15(2,3)4)8-12-9-14(18)20-16(12)5/h12-13H,8-10H2,1-7H3/t12-,13+/m1/s1.
What are the key properties of [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate?
[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate has a molecular weight of 331.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(3R)-2-methyl-5-oxo-1,2-oxazolidin-3-yl]propyl] acetate is sourced from PubChem (CID 23254549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).