(1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol

C24H43NO2SSi — CID 22559383

About (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol

(1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol (PubChem CID 22559383) has the molecular formula C24H43NO2SSi and a molecular weight of 437.77 g/mol. Its IUPAC name is (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol.

Molecular Properties

• Compound Name: (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol
• PubChem CID: 22559383
• Molecular Formula: C24H43NO2SSi
• Molecular Weight: 437.77 g/mol
• Exact Mass: 437.28
• IUPAC Name: (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol
• SMILES: C/C(=C/CC(O)/C(C)=C/c1csc(C)n1)CCCC(C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C24H43NO2SSi/c1-18(11-10-12-19(2)16-27-29(8,9)24(5,6)7)13-14-23(26)20(3)15-22-17-28-21(4)25-22/h13,15,17,19,23,26H,10-12,14,16H2,1-9H3/b18-13-,20-15+
• InChIKey: AJIXFROFTDICOV-WJUDDHBZSA-N
• XLogP: 7.38
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.77
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol?

The IUPAC name of (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol (CID 22559383) is (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol.

What is the SMILES notation for (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol?

The canonical SMILES for (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol is C/C(=C/CC(O)/C(C)=C/c1csc(C)n1)CCCC(C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol?

The InChIKey is AJIXFROFTDICOV-WJUDDHBZSA-N. The full InChI is InChI=1S/C24H43NO2SSi/c1-18(11-10-12-19(2)16-27-29(8,9)24(5,6)7)13-14-23(26)20(3)15-22-17-28-21(4)25-22/h13,15,17,19,23,26H,10-12,14,16H2,1-9H3/b18-13-,20-15+.

What are the key properties of (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol?

(1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol has a molecular weight of 437.77 g/mol, XLogP of 7.38, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1E,5Z)-11-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)undeca-1,5-dien-3-ol is sourced from PubChem (CID 22559383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).