(7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene

C19H26F4O — CID 144809566

About (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene

(7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene (PubChem CID 144809566) has the molecular formula C19H26F4O and a molecular weight of 346.41 g/mol. Its IUPAC name is (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene.

Molecular Properties

• Compound Name: (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene
• PubChem CID: 144809566
• Molecular Formula: C19H26F4O
• Molecular Weight: 346.41 g/mol
• Exact Mass: 346.19
• IUPAC Name: (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene
• SMILES: C=C(/C=C\C(=C)C(C)OCC(C)C)C(=C)C(F)(F)C(F)(F)C(=C)C
• InChI: InChI=1S/C19H26F4O/c1-12(2)11-24-17(8)15(6)10-9-14(5)16(7)19(22,23)18(20,21)13(3)4/h9-10,12,17H,3,5-7,11H2,1-2,4,8H3/b10-9-
• InChIKey: GIVJWQWXBJXFPL-KTKRTIGZSA-N
• XLogP: 6.12
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	346.41
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene?

The IUPAC name of (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene (CID 144809566) is (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene.

What is the SMILES notation for (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene?

The canonical SMILES for (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene is C=C(/C=C\C(=C)C(C)OCC(C)C)C(=C)C(F)(F)C(F)(F)C(=C)C.

What is the InChIKey of (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene?

The InChIKey is GIVJWQWXBJXFPL-KTKRTIGZSA-N. The full InChI is InChI=1S/C19H26F4O/c1-12(2)11-24-17(8)15(6)10-9-14(5)16(7)19(22,23)18(20,21)13(3)4/h9-10,12,17H,3,5-7,11H2,1-2,4,8H3/b10-9-.

What are the key properties of (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene?

(7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene has a molecular weight of 346.41 g/mol, XLogP of 6.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z)-3,3,4,4-tetrafluoro-2-methyl-5,6,9-trimethylidene-10-(2-methylpropoxy)undeca-1,7-diene is sourced from PubChem (CID 144809566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).