Structure Database (LMSD)

Common Name
11-Chloro-8E,10E-undecadien-1-ol
Systematic Name
11-Chloro-8E,10E-undecadien-1-ol
Synonyms
  • Cl-codlemone
LM ID
LMFA05000143
Formula
C11H19OCl
Exact Mass
Calculate m/z
202.112443
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)
DCAPJKJJDGWZRB-ONNLMXTPSA-N
InChi (Click to copy)
InChI=1S/C11H19ClO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h4,6,8,10,13H,1-3,5,7,9,11H2/b6-4+,10-8+
SMILES (Click to copy)
OCCCCCCC/C=C/C=C/Cl

Other Databases

CHEBI ID
165501
PubChem CID
44256516

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 217.58
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.91
Molar Refractivity 59.41

Admin

Created at
-
Updated at
3rd Jun 2021