[(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane

C35H59FOSi — CID 11006070

About [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane

[(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane (PubChem CID 11006070) has the molecular formula C35H59FOSi and a molecular weight of 542.94 g/mol. Its IUPAC name is [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane
• PubChem CID: 11006070
• Molecular Formula: C35H59FOSi
• Molecular Weight: 542.94 g/mol
• Exact Mass: 542.43
• IUPAC Name: [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane
• SMILES: C/C(=C/CC(C)(C)CC#CC[Si](C)(C)C)CC/C(C)=C(\F)CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C
• InChI: InChI=1S/C35H59FOSi/c1-28(16-14-17-29(2)21-23-33-35(7,8)37-33)18-15-19-32(36)31(4)22-20-30(3)24-26-34(5,6)25-12-13-27-38(9,10)11/h17-18,24,33H,14-16,19-23,25-27H2,1-11H3/b28-18+,29-17+,30-24-,32-31-
• InChIKey: IOIBIZBJCDEPRC-YZGSPHPASA-N
• XLogP: 11.52
• TPSA: 12.53 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 16
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.94
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane?

The IUPAC name of [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane (CID 11006070) is [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane.

What is the SMILES notation for [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane?

The canonical SMILES for [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane is C/C(=C/CC(C)(C)CC#CC[Si](C)(C)C)CC/C(C)=C(\F)CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C.

What is the InChIKey of [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane?

The InChIKey is IOIBIZBJCDEPRC-YZGSPHPASA-N. The full InChI is InChI=1S/C35H59FOSi/c1-28(16-14-17-29(2)21-23-33-35(7,8)37-33)18-15-19-32(36)31(4)22-20-30(3)24-26-34(5,6)25-12-13-27-38(9,10)11/h17-18,24,33H,14-16,19-23,25-27H2,1-11H3/b28-18+,29-17+,30-24-,32-31-.

What are the key properties of [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane?

[(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane has a molecular weight of 542.94 g/mol, XLogP of 11.52, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane is sourced from PubChem (CID 11006070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).