ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate

C15H30O5Si — CID 24873843

IUPACethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)[C@H]1CC[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O5Si/c1-7-18-14(17)13(16)12-9-8-11(20-12)10-19-21(5,6)15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11-,12-,13+/m1/s1
InChIKeyXBPYOOJERHGIEE-UPJWGTAASA-N
MW318.49 g/mol
LogP2.48
Rot. Bonds6

About ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate

ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate (PubChem CID 24873843) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
PubChem CID24873843
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Nameethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)[C@H]1CC[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C15H30O5Si/c1-7-18-14(17)13(16)12-9-8-11(20-12)10-19-21(5,6)15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11-,12-,13+/m1/s1
InChIKeyXBPYOOJERHGIEE-UPJWGTAASA-N
XLogP2.48
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[(1R,2R)-1-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxypropyl]oxolan-2-one
CID 10779889
Ethyl (2R,3S)-2-Hydroxy-3-(triisopropylsiloxy)decanoate
CID 11825278
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]oxolan-2-one
CID 15318716
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyoctanoate
CID 23642893
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
ethyl (2R)-2-hydroxy-2-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]acetate
CID 24873844
(2r,3s,6s)-Ethyl 6-(t-butyldimethylsilyloxy)-2,3-dihydroxyheptanoate
CID 129843402
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyoctanoate
CID 134996680
ethyl (2R)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate
CID 135013071
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443
dimethyl (2R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2,6-dihydroxyheptanedioate
CID 135046881

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate?
The IUPAC name of ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate (CID 24873843) is ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate.
What is the SMILES notation for ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate?
The canonical SMILES for ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate is CCOC(=O)[C@@H](O)[C@H]1CC[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate?
The InChIKey is XBPYOOJERHGIEE-UPJWGTAASA-N. The full InChI is InChI=1S/C15H30O5Si/c1-7-18-14(17)13(16)12-9-8-11(20-12)10-19-21(5,6)15(2,3)4/h11-13,16H,7-10H2,1-6H3/t11-,12-,13+/m1/s1.
What are the key properties of ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate?
ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate has a molecular weight of 318.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 24873843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).