4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene

C17H23FO — CID 123173749

IUPAC4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene
SMILESC=C(C)C=CC(=CC)OC(C(F)=CC(=C)C)=C(C)C
InChIInChI=1S/C17H23FO/c1-8-15(10-9-12(2)3)19-17(14(6)7)16(18)11-13(4)5/h8-11H,2,4H2,1,3,5-7H3
InChIKeyWWVFBBSHDGKYSW-UHFFFAOYSA-N
MW262.37 g/mol
LogP5.76
Rot. Bonds6

About 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene

4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene (PubChem CID 123173749) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene
PubChem CID123173749
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene
SMILESC=C(C)C=CC(=CC)OC(C(F)=CC(=C)C)=C(C)C
InChIInChI=1S/C17H23FO/c1-8-15(10-9-12(2)3)19-17(14(6)7)16(18)11-13(4)5/h8-11H,2,4H2,1,3,5-7H3
InChIKeyWWVFBBSHDGKYSW-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.37
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene 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 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene?
The IUPAC name of 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene (CID 123173749) is 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene.
What is the SMILES notation for 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene?
The canonical SMILES for 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene is C=C(C)C=CC(=CC)OC(C(F)=CC(=C)C)=C(C)C.
What is the InChIKey of 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene?
The InChIKey is WWVFBBSHDGKYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-8-15(10-9-12(2)3)19-17(14(6)7)16(18)11-13(4)5/h8-11H,2,4H2,1,3,5-7H3.
What are the key properties of 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene?
4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene has a molecular weight of 262.37 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-dimethyl-5-(6-methylhepta-2,4,6-trien-3-yloxy)hepta-1,3,5-triene is sourced from PubChem (CID 123173749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).