(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene

C₁₀H₁₄F₂O — CID 142904545

About (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene

(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene (PubChem CID 142904545) has the molecular formula C₁₀H₁₄F₂O and a molecular weight of 188.22 g/mol. Its IUPAC name is (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene.

Molecular Properties

• Compound Name: (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene
• PubChem CID: 142904545
• Molecular Formula: C₁₀H₁₄F₂O
• Molecular Weight: 188.22 g/mol
• Exact Mass: 188.10
• IUPAC Name: (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene
• SMILES: C=CC(/C=C(C)\C=C/C)OC(F)F
• InChI: InChI=1S/C10H14F2O/c1-4-6-8(3)7-9(5-2)13-10(11)12/h4-7,9-10H,2H2,1,3H3/b6-4-,8-7-
• InChIKey: OVGRKGAKZYKNHW-MOIRPGTBSA-N
• XLogP: 3.30
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.22
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene?

The IUPAC name of (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene (CID 142904545) is (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene.

What is the SMILES notation for (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene?

The canonical SMILES for (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene is C=CC(/C=C(C)\C=C/C)OC(F)F.

What is the InChIKey of (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene?

The InChIKey is OVGRKGAKZYKNHW-MOIRPGTBSA-N. The full InChI is InChI=1S/C10H14F2O/c1-4-6-8(3)7-9(5-2)13-10(11)12/h4-7,9-10H,2H2,1,3H3/b6-4-,8-7-.

What are the key properties of (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene?

(4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene has a molecular weight of 188.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,6Z)-3-(difluoromethoxy)-5-methylocta-1,4,6-triene is sourced from PubChem (CID 142904545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142904545 — identifiers, structure, computed properties (public domain)

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