Structure Database (LMSD)

Common Name
9E,11-Dodecadien-1-ol
Systematic Name
9E,11-Dodecadien-1-ol
Synonyms
LM ID
LMFA05000149
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Sum Composition
FOH 12:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Setothosea asigna (#2676327)
Insecta (#50557)
Identification of Sex Pheromone Components of Nettle Caterpillar, Setothosea asigna,
J Chem Ecol, 1997

String Representations

InChiKey (Click to copy)
OIMIXJLPIJKPDM-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-4,13H,1,5-12H2/b4-3+
SMILES (Click to copy)
OCCCCCCCC/C=C/C=C

Other Databases

PubChem CID
5365562

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.74
Molar Refractivity 59.23

Admin

Created at
-
Updated at
14th Oct 2025