ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]oxolan-2-yl]acetate

C25H48O6Si — CID 102150065

About ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]oxolan-2-yl]acetate

ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]oxolan-2-yl]acetate (PubChem CID 102150065) has the molecular formula C25H48O6Si and a molecular weight of 472.74 g/mol. Its IUPAC name is ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]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)silyloxypent-4-enyl]oxolan-2-yl]acetate
• PubChem CID: 102150065
• Molecular Formula: C25H48O6Si
• Molecular Weight: 472.74 g/mol
• Exact Mass: 472.32
• IUPAC Name: ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]oxolan-2-yl]acetate
• SMILES: C=C[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/C25H48O6Si/c1-11-20(9)24(31-32(17(3)4,18(5)6)19(7)8)25(29-16-27-10)22-14-13-21(30-22)15-23(26)28-12-2/h11,17-22,24-25H,1,12-16H2,2-10H3/t20-,21-,22+,24-,25-/m1/s1
• InChIKey: BADDZWSKZUAQKR-NBZDVZLHSA-N
• XLogP: 5.86
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.74
LogP ≤ 5	5.86
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': 'isolated_alkene', '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)silyloxypent-4-enyl]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)silyloxypent-4-enyl]oxolan-2-yl]acetate (CID 102150065) is ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]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)silyloxypent-4-enyl]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)silyloxypent-4-enyl]oxolan-2-yl]acetate is C=C[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)silyloxypent-4-enyl]oxolan-2-yl]acetate?

The InChIKey is BADDZWSKZUAQKR-NBZDVZLHSA-N. The full InChI is InChI=1S/C25H48O6Si/c1-11-20(9)24(31-32(17(3)4,18(5)6)19(7)8)25(29-16-27-10)22-14-13-21(30-22)15-23(26)28-12-2/h11,17-22,24-25H,1,12-16H2,2-10H3/t20-,21-,22+,24-,25-/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)silyloxypent-4-enyl]oxolan-2-yl]acetate?

ethyl 2-[(2R,5S)-5-[(1R,2R,3R)-1-(methoxymethoxy)-3-methyl-2-tri(propan-2-yl)silyloxypent-4-enyl]oxolan-2-yl]acetate has a molecular weight of 472.74 g/mol, XLogP of 5.86, 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)silyloxypent-4-enyl]oxolan-2-yl]acetate is sourced from PubChem (CID 102150065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).