tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate

C29H61NO7Si3 — CID 177443370

IUPACtert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H61NO7Si3/c1-26(2,3)35-25(32)30-21(19-33-24(30)31)23(37-40(17,18)29(10,11)12)22(36-39(15,16)28(7,8)9)20-34-38(13,14)27(4,5)6/h21-23H,19-20H2,1-18H3/t21-,22+,23-/m1/s1
InChIKeyHUNOPBLXZNHTRZ-XPWALMASSA-N
MW620.07 g/mol
LogP8.54
Rot. Bonds9

About tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 177443370) has the molecular formula C29H61NO7Si3 and a molecular weight of 620.07 g/mol. Its IUPAC name is tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate
PubChem CID177443370
Molecular FormulaC29H61NO7Si3
Molecular Weight620.07 g/mol
Exact Mass619.38
IUPAC Nametert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H61NO7Si3/c1-26(2,3)35-25(32)30-21(19-33-24(30)31)23(37-40(17,18)29(10,11)12)22(36-39(15,16)28(7,8)9)20-34-38(13,14)27(4,5)6/h21-23H,19-20H2,1-18H3/t21-,22+,23-/m1/s1
InChIKeyHUNOPBLXZNHTRZ-XPWALMASSA-N
XLogP8.54
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.07
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

tert-butyl (2R)-2-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-5-methoxypyrrolidine-1-carboxylate
CID 10648746
tert-butyl (2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypyrrolidin-5-ide-1-carboxylate;thorium
CID 10653016
tert-butyl (4R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10862073
tert-butyl (4R)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11014617
tert-butyl (4R)-4-[(1R,2S)-3-azido-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-2-oxo-1,3-oxazolidine-3-carboxylate
CID 11387017
tert-butyl (4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxo-1,3-oxazolidine-3-carboxylate
CID 11729703
(3R,5R)-tert-Butyl 3-((tert-butyldimethylsilyl)oxy)-2-methoxy-5-methylpyrrolidine-1-carboxylate
CID 15378140

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate (CID 177443370) is tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(=O)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is HUNOPBLXZNHTRZ-XPWALMASSA-N. The full InChI is InChI=1S/C29H61NO7Si3/c1-26(2,3)35-25(32)30-21(19-33-24(30)31)23(37-40(17,18)29(10,11)12)22(36-39(15,16)28(7,8)9)20-34-38(13,14)27(4,5)6/h21-23H,19-20H2,1-18H3/t21-,22+,23-/m1/s1.
What are the key properties of tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 620.07 g/mol, XLogP of 8.54, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2-oxo-4-[(1R,2S)-1,2,3-tris[[tert-butyl(dimethyl)silyl]oxy]propyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 177443370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).