ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate

C24H48O6Si2 — CID 25107812

About ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate

ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate (PubChem CID 25107812) has the molecular formula C24H48O6Si2 and a molecular weight of 488.81 g/mol. Its IUPAC name is ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate
• PubChem CID: 25107812
• Molecular Formula: C24H48O6Si2
• Molecular Weight: 488.81 g/mol
• Exact Mass: 488.30
• IUPAC Name: ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate
• SMILES: CCOC(=O)C[C@@H]1O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C[C@H]1C
• InChI: InChI=1S/C24H48O6Si2/c1-13-27-21(26)15-18-17(2)14-19(28-18)22(30-32(11,12)24(6,7)8)20(16-25)29-31(9,10)23(3,4)5/h16-20,22H,13-15H2,1-12H3/t17-,18+,19-,20-,22+/m1/s1
• InChIKey: PJEKJBRIKMZGAA-BEZXDORVSA-N
• XLogP: 5.71
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.81
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate?

The IUPAC name of ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate (CID 25107812) is ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate.

What is the SMILES notation for ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate?

The canonical SMILES for ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate is CCOC(=O)C[C@@H]1O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=O)O[Si](C)(C)C(C)(C)C)C[C@H]1C.

What is the InChIKey of ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate?

The InChIKey is PJEKJBRIKMZGAA-BEZXDORVSA-N. The full InChI is InChI=1S/C24H48O6Si2/c1-13-27-21(26)15-18-17(2)14-19(28-18)22(30-32(11,12)24(6,7)8)20(16-25)29-31(9,10)23(3,4)5/h16-20,22H,13-15H2,1-12H3/t17-,18+,19-,20-,22+/m1/s1.

What are the key properties of ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate?

ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate has a molecular weight of 488.81 g/mol, XLogP of 5.71, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate is sourced from PubChem (CID 25107812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).