(2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol

C24H46O2Si — CID 11165341

About (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol

(2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol (PubChem CID 11165341) has the molecular formula C24H46O2Si and a molecular weight of 394.72 g/mol. Its IUPAC name is (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol.

Molecular Properties

• Compound Name: (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol
• PubChem CID: 11165341
• Molecular Formula: C24H46O2Si
• Molecular Weight: 394.72 g/mol
• Exact Mass: 394.33
• IUPAC Name: (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol
• SMILES: CC/C(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C)CO
• InChI: InChI=1S/C24H46O2Si/c1-11-22(18-25)17-20(4)15-13-14-19(3)16-21(5)23(12-2)26-27(9,10)24(6,7)8/h13-14,16-17,20-21,23,25H,11-12,15,18H2,1-10H3/b14-13+,19-16+,22-17-/t20-,21-,23+/m1/s1
• InChIKey: FXPDSJMXCMCXTC-BUWYBFMZSA-N
• XLogP: 7.28
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.72
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'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 (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol?

The IUPAC name of (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol (CID 11165341) is (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol.

What is the SMILES notation for (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol?

The canonical SMILES for (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol is CC/C(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C)CO.

What is the InChIKey of (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol?

The InChIKey is FXPDSJMXCMCXTC-BUWYBFMZSA-N. The full InChI is InChI=1S/C24H46O2Si/c1-11-22(18-25)17-20(4)15-13-14-19(3)16-21(5)23(12-2)26-27(9,10)24(6,7)8/h13-14,16-17,20-21,23,25H,11-12,15,18H2,1-10H3/b14-13+,19-16+,22-17-/t20-,21-,23+/m1/s1.

What are the key properties of (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol?

(2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol has a molecular weight of 394.72 g/mol, XLogP of 7.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,4R,6E,8E,10R,11S)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4,8,10-trimethyltrideca-2,6,8-trien-1-ol is sourced from PubChem (CID 11165341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).