methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate

C27H50O4Si2 — CID 91741286

About methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate

methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate (PubChem CID 91741286) has the molecular formula C27H50O4Si2 and a molecular weight of 494.87 g/mol. Its IUPAC name is methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate.

Molecular Properties

• Compound Name: methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate
• PubChem CID: 91741286
• Molecular Formula: C27H50O4Si2
• Molecular Weight: 494.87 g/mol
• Exact Mass: 494.32
• IUPAC Name: methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate
• SMILES: CCCCC/C=C\CC(/C=C\C=C/C=C/C(CCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C27H50O4Si2/c1-9-10-11-12-13-16-20-25(30-32(3,4)5)21-17-14-15-18-22-26(31-33(6,7)8)23-19-24-27(28)29-2/h13-18,21-22,25-26H,9-12,19-20,23-24H2,1-8H3/b15-14-,16-13-,21-17-,22-18+
• InChIKey: RUBZORHXVDDTDQ-RBKUZIFHSA-N
• XLogP: 7.97
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.87
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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 methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate?

The IUPAC name of methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate (CID 91741286) is methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate.

What is the SMILES notation for methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate?

The canonical SMILES for methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate is CCCCC/C=C\CC(/C=C\C=C/C=C/C(CCCC(=O)OC)O[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate?

The InChIKey is RUBZORHXVDDTDQ-RBKUZIFHSA-N. The full InChI is InChI=1S/C27H50O4Si2/c1-9-10-11-12-13-16-20-25(30-32(3,4)5)21-17-14-15-18-22-26(31-33(6,7)8)23-19-24-27(28)29-2/h13-18,21-22,25-26H,9-12,19-20,23-24H2,1-8H3/b15-14-,16-13-,21-17-,22-18+.

What are the key properties of methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate?

methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate has a molecular weight of 494.87 g/mol, XLogP of 7.97, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6E,8Z,10Z,14Z)-5,12-bis(trimethylsilyloxy)icosa-6,8,10,14-tetraenoate is sourced from PubChem (CID 91741286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).