(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one

C21H44O4Si2 — CID 10598024

IUPAC(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one
SMILESCC(=O)[C@H](C[C@]1(CO[Si](C)(C)C(C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O4Si2/c1-16(22)17(24-27(12,13)19(5,6)7)14-21(20(8,9)25-21)15-23-26(10,11)18(2,3)4/h17H,14-15H2,1-13H3/t17-,21+/m0/s1
InChIKeyWBPFYICEBZQPJD-LAUBAEHRSA-N
MW416.75 g/mol
LogP5.93
Rot. Bonds8

About (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one (PubChem CID 10598024) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol. Its IUPAC name is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one.

Molecular Properties

Compound Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one
PubChem CID10598024
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Name(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one
SMILESCC(=O)[C@H](C[C@]1(CO[Si](C)(C)C(C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O4Si2/c1-16(22)17(24-27(12,13)19(5,6)7)14-21(20(8,9)25-21)15-23-26(10,11)18(2,3)4/h17H,14-15H2,1-13H3/t17-,21+/m0/s1
InChIKeyWBPFYICEBZQPJD-LAUBAEHRSA-N
XLogP5.93
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one with MolForge

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Related Compounds

1-[(2R,5R,6R)-5-methyl-5-triethylsilyloxy-6-[2-tri(propan-2-yl)silyloxyethyl]oxan-2-yl]ethanone
CID 135025581
propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate
CID 10504193
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]butan-2-one
CID 11797007

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one?
The IUPAC name of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one (CID 10598024) is (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one.
What is the SMILES notation for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one?
The canonical SMILES for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one is CC(=O)[C@H](C[C@]1(CO[Si](C)(C)C(C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one?
The InChIKey is WBPFYICEBZQPJD-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-16(22)17(24-27(12,13)19(5,6)7)14-21(20(8,9)25-21)15-23-26(10,11)18(2,3)4/h17H,14-15H2,1-13H3/t17-,21+/m0/s1.
What are the key properties of (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one?
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one has a molecular weight of 416.75 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]butan-2-one is sourced from PubChem (CID 10598024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).