5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane

C23H34F2O3 — CID 143889307

About 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane

5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane (PubChem CID 143889307) has the molecular formula C23H34F2O3 and a molecular weight of 396.52 g/mol. Its IUPAC name is 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane.

Molecular Properties

• Compound Name: 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane
• PubChem CID: 143889307
• Molecular Formula: C23H34F2O3
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.25
• IUPAC Name: 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane
• SMILES: C=CC1CCC(OC/C(=C/C=C(C)/C(CC)=C(F)/C(F)=C(\C)OC)CC)CO1
• InChI: InChI=1S/C23H34F2O3/c1-7-18(14-27-20-13-12-19(8-2)28-15-20)11-10-16(4)21(9-3)23(25)22(24)17(5)26-6/h8,10-11,19-20H,2,7,9,12-15H2,1,3-6H3/b16-10+,18-11+,22-17-,23-21-
• InChIKey: QUFXQUNJWKBCOJ-QQUXLZLVSA-N
• XLogP: 6.50
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	6.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', '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 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane?

The IUPAC name of 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane (CID 143889307) is 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane.

What is the SMILES notation for 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane?

The canonical SMILES for 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane is C=CC1CCC(OC/C(=C/C=C(C)/C(CC)=C(F)/C(F)=C(\C)OC)CC)CO1.

What is the InChIKey of 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane?

The InChIKey is QUFXQUNJWKBCOJ-QQUXLZLVSA-N. The full InChI is InChI=1S/C23H34F2O3/c1-7-18(14-27-20-13-12-19(8-2)28-15-20)11-10-16(4)21(9-3)23(25)22(24)17(5)26-6/h8,10-11,19-20H,2,7,9,12-15H2,1,3-6H3/b16-10+,18-11+,22-17-,23-21-.

What are the key properties of 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane?

5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane has a molecular weight of 396.52 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2E,4E,6Z,8Z)-2,6-diethyl-7,8-difluoro-9-methoxy-5-methyldeca-2,4,6,8-tetraenoxy]-2-ethenyloxane is sourced from PubChem (CID 143889307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).