ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate

C32H58O6Si — CID 15953255

About ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate

ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate (PubChem CID 15953255) has the molecular formula C32H58O6Si and a molecular weight of 566.90 g/mol. Its IUPAC name is ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate
• PubChem CID: 15953255
• Molecular Formula: C32H58O6Si
• Molecular Weight: 566.90 g/mol
• Exact Mass: 566.40
• IUPAC Name: ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate
• SMILES: C=C(C)C/C=C/C(=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/C32H58O6Si/c1-13-35-30(33)20-28-17-18-29(37-28)32(36-21-34-12)31(27(11)19-26(10)16-14-15-22(2)3)38-39(23(4)5,24(6)7)25(8)9/h14,16,23-25,27-29,31-32H,2,10,13,15,17-21H2,1,3-9,11-12H3/b16-14+/t27-,28-,29+,31-,32-/m1/s1
• InChIKey: AMGYCLNQXINCQJ-WDYISUORSA-N
• XLogP: 8.14
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.90
LogP ≤ 5	8.14
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate?

The IUPAC name of ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate (CID 15953255) is ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate.

What is the SMILES notation for ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate?

The canonical SMILES for ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate is C=C(C)C/C=C/C(=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,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate?

The InChIKey is AMGYCLNQXINCQJ-WDYISUORSA-N. The full InChI is InChI=1S/C32H58O6Si/c1-13-35-30(33)20-28-17-18-29(37-28)32(36-21-34-12)31(27(11)19-26(10)16-14-15-22(2)3)38-39(23(4)5,24(6)7)25(8)9/h14,16,23-25,27-29,31-32H,2,10,13,15,17-21H2,1,3-9,11-12H3/b16-14+/t27-,28-,29+,31-,32-/m1/s1.

What are the key properties of ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate?

ethyl 2-[(2R,5S)-5-[(1R,2R,3R,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate has a molecular weight of 566.90 g/mol, XLogP of 8.14, 19 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,6E)-1-(methoxymethoxy)-3,9-dimethyl-5-methylidene-2-tri(propan-2-yl)silyloxydeca-6,9-dienyl]oxolan-2-yl]acetate is sourced from PubChem (CID 15953255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).