methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate

C23H42O3Si — CID 10524702

About methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate

methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate (PubChem CID 10524702) has the molecular formula C23H42O3Si and a molecular weight of 394.67 g/mol. Its IUPAC name is methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate.

Molecular Properties

• Compound Name: methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate
• PubChem CID: 10524702
• Molecular Formula: C23H42O3Si
• Molecular Weight: 394.67 g/mol
• Exact Mass: 394.29
• IUPAC Name: methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate
• SMILES: CC[Si](CC)(CC)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H](C)/C=C\C(=O)OC
• InChI: InChI=1S/C23H42O3Si/c1-11-27(12-2,13-3)26-22(19(5)14-15-21(24)25-10)20(6)16-18(4)17-23(7,8)9/h14-17,19,22H,11-13H2,1-10H3/b15-14-,18-17+,20-16+/t19-,22+/m0/s1
• InChIKey: HQFRTUFNXQNEHD-POCSCAELSA-N
• XLogP: 6.68
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.67
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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 (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate?

The IUPAC name of methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate (CID 10524702) is methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate.

What is the SMILES notation for methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate?

The canonical SMILES for methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate is CC[Si](CC)(CC)O[C@@H](/C(C)=C/C(C)=C/C(C)(C)C)[C@@H](C)/C=C\C(=O)OC.

What is the InChIKey of methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate?

The InChIKey is HQFRTUFNXQNEHD-POCSCAELSA-N. The full InChI is InChI=1S/C23H42O3Si/c1-11-27(12-2,13-3)26-22(19(5)14-15-21(24)25-10)20(6)16-18(4)17-23(7,8)9/h14-17,19,22H,11-13H2,1-10H3/b15-14-,18-17+,20-16+/t19-,22+/m0/s1.

What are the key properties of methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate?

methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate has a molecular weight of 394.67 g/mol, XLogP of 6.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2Z,4S,5R,6E,8E)-4,6,8,10,10-pentamethyl-5-triethylsilyloxyundeca-2,6,8-trienoate is sourced from PubChem (CID 10524702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).