methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate

C26H42O6Si — CID 11190790

About methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate

methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate (PubChem CID 11190790) has the molecular formula C26H42O6Si and a molecular weight of 478.70 g/mol. Its IUPAC name is methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate.

Molecular Properties

• Compound Name: methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate
• PubChem CID: 11190790
• Molecular Formula: C26H42O6Si
• Molecular Weight: 478.70 g/mol
• Exact Mass: 478.28
• IUPAC Name: methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate
• SMILES: C=C(/C=C(\C)[C@@H]1CCC[C@@H](OC(C)=O)[C@H]1CC(=O)/C=C(/C)C(=O)OC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H42O6Si/c1-17(14-19(3)32-33(9,10)26(5,6)7)22-12-11-13-24(31-20(4)27)23(22)16-21(28)15-18(2)25(29)30-8/h14-15,22-24H,3,11-13,16H2,1-2,4-10H3/b17-14+,18-15-/t22-,23-,24+/m0/s1
• InChIKey: LYDGJVWUPALOPV-MPAZDJIBSA-N
• XLogP: 5.89
• TPSA: 78.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.70
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate?

The IUPAC name of methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate (CID 11190790) is methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate.

What is the SMILES notation for methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate?

The canonical SMILES for methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate is C=C(/C=C(\C)[C@@H]1CCC[C@@H](OC(C)=O)[C@H]1CC(=O)/C=C(/C)C(=O)OC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate?

The InChIKey is LYDGJVWUPALOPV-MPAZDJIBSA-N. The full InChI is InChI=1S/C26H42O6Si/c1-17(14-19(3)32-33(9,10)26(5,6)7)22-12-11-13-24(31-20(4)27)23(22)16-21(28)15-18(2)25(29)30-8/h14-15,22-24H,3,11-13,16H2,1-2,4-10H3/b17-14+,18-15-/t22-,23-,24+/m0/s1.

What are the key properties of methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate?

methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate has a molecular weight of 478.70 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (Z)-5-[(1S,2R,6R)-2-acetyloxy-6-[(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dien-2-yl]cyclohexyl]-2-methyl-4-oxopent-2-enoate is sourced from PubChem (CID 11190790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).