propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate

C23H48O5Si2 — CID 10504193

IUPACpropan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate
SMILESCC(C)OC(=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/C23H48O5Si2/c1-17(2)26-19(24)18(27-30(13,14)21(6,7)8)15-23(22(9,10)28-23)16-25-29(11,12)20(3,4)5/h17-18H,15-16H2,1-14H3/t18-,23+/m0/s1
InChIKeyGGGVMISSKFAHMT-FDDCHVKYSA-N
MW460.80 g/mol
LogP6.29
Rot. Bonds9

About propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate

propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate (PubChem CID 10504193) has the molecular formula C23H48O5Si2 and a molecular weight of 460.80 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate
PubChem CID10504193
Molecular FormulaC23H48O5Si2
Molecular Weight460.80 g/mol
Exact Mass460.30
IUPAC Namepropan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate
SMILESCC(C)OC(=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/C23H48O5Si2/c1-17(2)26-19(24)18(27-30(13,14)21(6,7)8)15-23(22(9,10)28-23)16-25-29(11,12)20(3,4)5/h17-18H,15-16H2,1-14H3/t18-,23+/m0/s1
InChIKeyGGGVMISSKFAHMT-FDDCHVKYSA-N
XLogP6.29
TPSA57.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Deoxy-2C-(hydroxymethyl)erithro-pentonic acid lactone, TMS
CID 91749280
3-Deoxy-2C-(hydroxymethyl)threo-pentonic acid lactone, TMS
CID 91749281
(3R,4S,5S,6R)-4-methyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 71217709
(4S,6R)-4-methyl-3,5-bis(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one
CID 160043225
(3R,4S,5R,6R)-3,4,5-trimethyl-6-(silyloxymethyl)-3,4,5-tris(trimethylsilyloxy)oxan-2-one
CID 173643269
(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
propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate
CID 10648278
propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate
CID 11791903

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate?
The IUPAC name of 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) is propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate.
What is the SMILES notation for propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate is CC(C)OC(=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 propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate?
The InChIKey is GGGVMISSKFAHMT-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H48O5Si2/c1-17(2)26-19(24)18(27-30(13,14)21(6,7)8)15-23(22(9,10)28-23)16-25-29(11,12)20(3,4)5/h17-18H,15-16H2,1-14H3/t18-,23+/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate?
propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate has a molecular weight of 460.80 g/mol, XLogP of 6.29, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyloxiran-2-yl]propanoate is sourced from PubChem (CID 10504193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).