ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate

C26H48O6Si — CID 102150066

About ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate

ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate (PubChem CID 102150066) has the molecular formula C26H48O6Si and a molecular weight of 484.75 g/mol. Its IUPAC name is ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate
• PubChem CID: 102150066
• Molecular Formula: C26H48O6Si
• Molecular Weight: 484.75 g/mol
• Exact Mass: 484.32
• IUPAC Name: ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate
• SMILES: C#CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCOC)[C@@H]1CC[C@H](CC(=O)OCC)O1
• InChI: InChI=1S/C26H48O6Si/c1-11-13-21(9)25(32-33(18(3)4,19(5)6)20(7)8)26(30-17-28-10)23-15-14-22(31-23)16-24(27)29-12-2/h1,18-23,25-26H,12-17H2,2-10H3/t21-,22-,23+,25-,26-/m1/s1
• InChIKey: RGIGYRGIXLXWHR-PNZHNUMHSA-N
• XLogP: 5.70
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.75
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate?

The IUPAC name of ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate (CID 102150066) is ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate.

What is the SMILES notation for ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate?

The canonical SMILES for ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate is C#CC[C@@H](C)[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](OCOC)[C@@H]1CC[C@H](CC(=O)OCC)O1.

What is the InChIKey of ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate?

The InChIKey is RGIGYRGIXLXWHR-PNZHNUMHSA-N. The full InChI is InChI=1S/C26H48O6Si/c1-11-13-21(9)25(32-33(18(3)4,19(5)6)20(7)8)26(30-17-28-10)23-15-14-22(31-23)16-24(27)29-12-2/h1,18-23,25-26H,12-17H2,2-10H3/t21-,22-,23+,25-,26-/m1/s1.

What are the key properties of ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate?

ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate has a molecular weight of 484.75 g/mol, XLogP of 5.70, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxyhex-5-ynyl]oxolan-2-yl]acetate is sourced from PubChem (CID 102150066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).