Structure Database (LMSD)

Common Name
8,9-Difluoro-8E,10E-dodecadien-1-ol
Systematic Name
8,9-Difluoro-8E,10E-dodecadien-1-ol
Synonyms
LM ID
LMFA05000169
Formula
C12H20OF2
Exact Mass
Calculate m/z
218.148221
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)
DOTRBGLRYVSEAI-XNFWGEGYSA-N
InChi (Click to copy)
InChI=1S/C12H20F2O/c1-2-8-11(13)12(14)9-6-4-3-5-7-10-15/h2,8,15H,3-7,9-10H2,1H3/b8-2+,12-11+
SMILES (Click to copy)
OCCCCCCC/C(/F)=C(\F)/C=C/C

Other Databases

CHEBI ID
168810
PubChem CID
14310978

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 231.81
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.33
Molar Refractivity 59.33

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Created at
-
Updated at
3rd Jun 2021