ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate

C26H46O3Si — CID 134865786

About ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate

ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate (PubChem CID 134865786) has the molecular formula C26H46O3Si and a molecular weight of 434.74 g/mol. Its IUPAC name is ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate.

Molecular Properties

• Compound Name: ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate
• PubChem CID: 134865786
• Molecular Formula: C26H46O3Si
• Molecular Weight: 434.74 g/mol
• Exact Mass: 434.32
• IUPAC Name: ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate
• SMILES: CCOC(=O)/C(C)=C/C(C)=C\C(C)=C\C(C)=C\[C@@H](C)[C@@H](CC)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H46O3Si/c1-13-24(29-30(11,12)26(8,9)10)22(6)17-20(4)15-19(3)16-21(5)18-23(7)25(27)28-14-2/h15-18,22,24H,13-14H2,1-12H3/b19-15+,20-17+,21-16-,23-18+/t22-,24-/m1/s1
• InChIKey: FNUPZWBIPNZULC-VHETYOEQSA-N
• XLogP: 7.77
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.74
LogP ≤ 5	7.77
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 ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate?

The IUPAC name of ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate (CID 134865786) is ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate.

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

The canonical SMILES for ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate is CCOC(=O)/C(C)=C/C(C)=C\C(C)=C\C(C)=C\[C@@H](C)[C@@H](CC)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate?

The InChIKey is FNUPZWBIPNZULC-VHETYOEQSA-N. The full InChI is InChI=1S/C26H46O3Si/c1-13-24(29-30(11,12)26(8,9)10)22(6)17-20(4)15-19(3)16-21(5)18-23(7)25(27)28-14-2/h15-18,22,24H,13-14H2,1-12H3/b19-15+,20-17+,21-16-,23-18+/t22-,24-/m1/s1.

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

ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate has a molecular weight of 434.74 g/mol, XLogP of 7.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2E,4Z,6E,8E,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8,10-pentamethyltrideca-2,4,6,8-tetraenoate is sourced from PubChem (CID 134865786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).