(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene

C₂₀H₂₃FO₂ — CID 145380881

About (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene

(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene (PubChem CID 145380881) has the molecular formula C₂₀H₂₃FO₂ and a molecular weight of 314.40 g/mol. Its IUPAC name is (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene.

Molecular Properties

• Compound Name: (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
• PubChem CID: 145380881
• Molecular Formula: C₂₀H₂₃FO₂
• Molecular Weight: 314.40 g/mol
• Exact Mass: 314.17
• IUPAC Name: (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
• SMILES: C=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C=C\C(=C)OC)OC
• InChI: InChI=1S/C20H23FO2/c1-14(9-11-17(4)22-7)16(3)13-20(21)19(6)15(2)10-12-18(5)23-8/h9-13H,1-6H2,7-8H3/b11-9-,12-10-,20-13+
• InChIKey: WLYHPSRWVRVJSW-ZSSVHQDYSA-N
• XLogP: 5.50
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	314.40
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?

The IUPAC name of (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene (CID 145380881) is (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene.

What is the SMILES notation for (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?

The canonical SMILES for (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene is C=C(/C=C\C(=C)C(=C)/C=C(/F)C(=C)C(=C)/C=C\C(=C)OC)OC.

What is the InChIKey of (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?

The InChIKey is WLYHPSRWVRVJSW-ZSSVHQDYSA-N. The full InChI is InChI=1S/C20H23FO2/c1-14(9-11-17(4)22-7)16(3)13-20(21)19(6)15(2)10-12-18(5)23-8/h9-13H,1-6H2,7-8H3/b11-9-,12-10-,20-13+.

What are the key properties of (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene?

(3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene has a molecular weight of 314.40 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z,7E,11Z)-7-fluoro-2,13-dimethoxy-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene is sourced from PubChem (CID 145380881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145380881 — identifiers, structure, computed properties (public domain)

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