(1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene

C15H19FO — CID 89030744

IUPAC(1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)O/C=C/C=C(/F)C=C(C)C
InChIInChI=1S/C15H19FO/c1-5-7-10-15(6-2)17-11-8-9-14(16)12-13(3)4/h5-12H,1H2,2-4H3/b10-7-,11-8+,14-9+,15-6+
InChIKeyHBAVUIONQCMENL-QVNWPGJFSA-N
MW234.31 g/mol
LogP4.98
Rot. Bonds6

About (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene

(1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene (PubChem CID 89030744) has the molecular formula C15H19FO and a molecular weight of 234.31 g/mol. Its IUPAC name is (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene
PubChem CID89030744
Molecular FormulaC15H19FO
Molecular Weight234.31 g/mol
Exact Mass234.14
IUPAC Name(1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)O/C=C/C=C(/F)C=C(C)C
InChIInChI=1S/C15H19FO/c1-5-7-10-15(6-2)17-11-8-9-14(16)12-13(3)4/h5-12H,1H2,2-4H3/b10-7-,11-8+,14-9+,15-6+
InChIKeyHBAVUIONQCMENL-QVNWPGJFSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 54.98
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'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene?
The IUPAC name of (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene (CID 89030744) is (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene.
What is the SMILES notation for (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene?
The canonical SMILES for (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene is C=C/C=C\C(=C/C)O/C=C/C=C(/F)C=C(C)C.
What is the InChIKey of (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene?
The InChIKey is HBAVUIONQCMENL-QVNWPGJFSA-N. The full InChI is InChI=1S/C15H19FO/c1-5-7-10-15(6-2)17-11-8-9-14(16)12-13(3)4/h5-12H,1H2,2-4H3/b10-7-,11-8+,14-9+,15-6+.
What are the key properties of (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene?
(1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene has a molecular weight of 234.31 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-fluoro-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-6-methylhepta-1,3,5-triene is sourced from PubChem (CID 89030744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).