Structure Database (LMSD)

Common Name
8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol
Systematic Name
8,9,10,11-Tetrafluoro-8E,10E-dodecadien-1-ol
Synonyms
LM ID
LMFA05000168
Formula
C12H18OF4
Exact Mass
Calculate m/z
254.129377
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Electrophysiological and field activity of halogenated analogs of (E,E)-8,10-dodecadien-1-ol, the main pheromone component, in codling moth (Cydia pomonella L.).,
J Chem Ecol, 1994
Pubmed ID: 24242106

String Representations

InChiKey (Click to copy)
QECZLRUNAWQRHS-WGDLNXRISA-N
InChi (Click to copy)
InChI=1S/C12H18F4O/c1-9(13)11(15)12(16)10(14)7-5-3-2-4-6-8-17/h17H,2-8H2,1H3/b11-9+,12-10+
SMILES (Click to copy)
OCCCCCCC/C(/F)=C(\F)/C(/F)=C(\F)/C

Other Databases

CHEBI ID
137733
PubChem CID
14310981

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 243.95
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.93
Molar Refractivity 59.44

Admin

Created at
-
Updated at
3rd Jun 2021