tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane

C36H50F2OSi — CID 23168652

About tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane

tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane (PubChem CID 23168652) has the molecular formula C36H50F2OSi and a molecular weight of 564.88 g/mol. Its IUPAC name is tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane
• PubChem CID: 23168652
• Molecular Formula: C36H50F2OSi
• Molecular Weight: 564.88 g/mol
• Exact Mass: 564.36
• IUPAC Name: tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane
• SMILES: CCCCC/C=C/C/C=C/C/C(F)=C/C/C(F)=C/CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C36H50F2OSi/c1-5-6-7-8-9-10-11-12-16-23-32(37)29-30-33(38)24-17-15-22-31-39-40(36(2,3)4,34-25-18-13-19-26-34)35-27-20-14-21-28-35/h9-10,12-14,16,18-21,24-29H,5-8,11,15,17,22-23,30-31H2,1-4H3/b10-9+,16-12+,32-29-,33-24-
• InChIKey: XRTBIWOFRYIFKU-UIZSVNRHSA-N
• XLogP: 10.30
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.88
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane?

The IUPAC name of tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane (CID 23168652) is tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane.

What is the SMILES notation for tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane?

The canonical SMILES for tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane is CCCCC/C=C/C/C=C/C/C(F)=C/C/C(F)=C/CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane?

The InChIKey is XRTBIWOFRYIFKU-UIZSVNRHSA-N. The full InChI is InChI=1S/C36H50F2OSi/c1-5-6-7-8-9-10-11-12-16-23-32(37)29-30-33(38)24-17-15-22-31-39-40(36(2,3)4,34-25-18-13-19-26-34)35-27-20-14-21-28-35/h9-10,12-14,16,18-21,24-29H,5-8,11,15,17,22-23,30-31H2,1-4H3/b10-9+,16-12+,32-29-,33-24-.

What are the key properties of tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane?

tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane has a molecular weight of 564.88 g/mol, XLogP of 10.30, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane is sourced from PubChem (CID 23168652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).