ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate

C16H32O5Si — CID 44513304

IUPACethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1C
InChIInChI=1S/C16H32O5Si/c1-8-19-15(18)13(17)14-11(2)9-12(21-14)10-20-22(6,7)16(3,4)5/h11-14,17H,8-10H2,1-7H3/t11-,12-,13+,14-/m1/s1
InChIKeyZBYVMKXPCXWMCY-YIYPIFLZSA-N
MW332.51 g/mol
LogP2.73
Rot. Bonds6

About ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate

ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate (PubChem CID 44513304) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate
PubChem CID44513304
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Nameethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@@H](O)[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1C
InChIInChI=1S/C16H32O5Si/c1-8-19-15(18)13(17)14-11(2)9-12(21-14)10-20-22(6,7)16(3,4)5/h11-14,17H,8-10H2,1-7H3/t11-,12-,13+,14-/m1/s1
InChIKeyZBYVMKXPCXWMCY-YIYPIFLZSA-N
XLogP2.73
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate?
The IUPAC name of ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate (CID 44513304) is ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate.
What is the SMILES notation for ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate?
The canonical SMILES for ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate is CCOC(=O)[C@@H](O)[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]1C.
What is the InChIKey of ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate?
The InChIKey is ZBYVMKXPCXWMCY-YIYPIFLZSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-8-19-15(18)13(17)14-11(2)9-12(21-14)10-20-22(6,7)16(3,4)5/h11-14,17H,8-10H2,1-7H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate?
ethyl (2S)-2-[(2R,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate has a molecular weight of 332.51 g/mol, XLogP of 2.73, 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,3R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyloxolan-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 44513304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).