ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate

C25H50O4Si2 — CID 134841576

About ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate

ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate (PubChem CID 134841576) has the molecular formula C25H50O4Si2 and a molecular weight of 470.84 g/mol. Its IUPAC name is ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate.

Molecular Properties

• Compound Name: ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate
• PubChem CID: 134841576
• Molecular Formula: C25H50O4Si2
• Molecular Weight: 470.84 g/mol
• Exact Mass: 470.32
• IUPAC Name: ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate
• SMILES: CCOC(=O)/C(C)=C\[C@@H](C)[C@H](/C=C(\C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C25H50O4Si2/c1-15-27-23(26)21(4)17-20(3)22(29-31(13,14)25(8,9)10)16-19(2)18-28-30(11,12)24(5,6)7/h16-17,20,22H,15,18H2,1-14H3/b19-16+,21-17-/t20-,22+/m1/s1
• InChIKey: RXOZOEQTFSEZMB-PWVYHTGDSA-N
• XLogP: 7.49
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.84
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate?

The IUPAC name of ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate (CID 134841576) is ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate.

What is the SMILES notation for ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate?

The canonical SMILES for ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate is CCOC(=O)/C(C)=C\[C@@H](C)[C@H](/C=C(\C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate?

The InChIKey is RXOZOEQTFSEZMB-PWVYHTGDSA-N. The full InChI is InChI=1S/C25H50O4Si2/c1-15-27-23(26)21(4)17-20(3)22(29-31(13,14)25(8,9)10)16-19(2)18-28-30(11,12)24(5,6)7/h16-17,20,22H,15,18H2,1-14H3/b19-16+,21-17-/t20-,22+/m1/s1.

What are the key properties of ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate?

ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate has a molecular weight of 470.84 g/mol, XLogP of 7.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2Z,4R,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylocta-2,6-dienoate is sourced from PubChem (CID 134841576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).