(2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene

C11H19FO — CID 129196424

IUPAC(2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene
SMILESCOC/C=C(F)\C=C/C(C)C(C)C
InChIInChI=1S/C11H19FO/c1-9(2)10(3)5-6-11(12)7-8-13-4/h5-7,9-10H,8H2,1-4H3/b6-5-,11-7+
InChIKeyCIYFDFYPAWMJGA-GNLLZQBYSA-N
MW186.27 g/mol
LogP3.33
Rot. Bonds5

About (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene

(2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene (PubChem CID 129196424) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene
PubChem CID129196424
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name(2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene
SMILESCOC/C=C(F)\C=C/C(C)C(C)C
InChIInChI=1S/C11H19FO/c1-9(2)10(3)5-6-11(12)7-8-13-4/h5-7,9-10H,8H2,1-4H3/b6-5-,11-7+
InChIKeyCIYFDFYPAWMJGA-GNLLZQBYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene?
The IUPAC name of (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene (CID 129196424) is (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene.
What is the SMILES notation for (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene?
The canonical SMILES for (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene is COC/C=C(F)\C=C/C(C)C(C)C.
What is the InChIKey of (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene?
The InChIKey is CIYFDFYPAWMJGA-GNLLZQBYSA-N. The full InChI is InChI=1S/C11H19FO/c1-9(2)10(3)5-6-11(12)7-8-13-4/h5-7,9-10H,8H2,1-4H3/b6-5-,11-7+.
What are the key properties of (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene?
(2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene has a molecular weight of 186.27 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-fluoro-1-methoxy-6,7-dimethylocta-2,4-diene is sourced from PubChem (CID 129196424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).