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

C17H34O5Si — CID 11791903

IUPACpropan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate
SMILESCC(C)OC(=O)[C@H](C[C@]1(CO)OC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-12(2)20-14(19)13(21-23(8,9)15(3,4)5)10-17(11-18)16(6,7)22-17/h12-13,18H,10-11H2,1-9H3/t13-,17+/m0/s1
InChIKeyIWOUXZOEBYLKGV-SUMWQHHRSA-N
MW346.54 g/mol
LogP3.26
Rot. Bonds7

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

propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate (PubChem CID 11791903) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate
PubChem CID11791903
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Namepropan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate
SMILESCC(C)OC(=O)[C@H](C[C@]1(CO)OC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-12(2)20-14(19)13(21-23(8,9)15(3,4)5)10-17(11-18)16(6,7)22-17/h12-13,18H,10-11H2,1-9H3/t13-,17+/m0/s1
InChIKeyIWOUXZOEBYLKGV-SUMWQHHRSA-N
XLogP3.26
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.26
H-Bond Donors ≤ 51
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

Diethyl 2-(3,4-dihydroxy-1-triethylsilyloxypentan-2-yl)-2-trimethylsilyloxypropanedioate
CID 134944757
ethyl (5R)-5-[(1S)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate
CID 134944790
ethyl (2S,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127422
ethyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127493
ethyl (2R,3R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 59127504
ethyl (2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropyl]-3-ethyloxirane-2-carboxylate
CID 89112168
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
propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]propanoate
CID 10648278
ethyl (7S)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-4-methyl-8-oxononanoate
CID 10992445
methyl (2S,3R)-4-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyloxiran-2-yl]-2,3-dihydroxybutanoate
CID 25107870
ethyl (3S,4S,5S)-5-[(1R)-1-hydroxyethyl]-2-oxo-4-(triethylsilyloxymethyl)-3-trimethylsilyloxyoxolane-3-carboxylate
CID 56593870
(1R,2R,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-1-methyl-3,7-dioxabicyclo[4.1.0]heptan-4-one
CID 101098584

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate?
The IUPAC name of propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate (CID 11791903) is propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-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-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate?
The canonical SMILES for propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate is CC(C)OC(=O)[C@H](C[C@]1(CO)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-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate?
The InChIKey is IWOUXZOEBYLKGV-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-12(2)20-14(19)13(21-23(8,9)15(3,4)5)10-17(11-18)16(6,7)22-17/h12-13,18H,10-11H2,1-9H3/t13-,17+/m0/s1.
What are the key properties of propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate?
propan-2-yl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate has a molecular weight of 346.54 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 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-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]propanoate is sourced from PubChem (CID 11791903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).