Structure Database (LMSD)

Common Name
7E,9Z-dodecadien-1-ol
Systematic Name
7E,9Z-dodecadien-1-ol
Synonyms
  • dodeca-7E,9Z-dien-1-ol
LM ID
LMFA05000026
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Sum Composition
FOH 12:2
Status
Active
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Lobesia botrana (#209534)
Insecta (#50557)
Characterization of Pheromone Blend for Grapevine Moth, Lobesia botrana by Using Flight Track Recording,
J Chem Ecol, 1999

String Representations

InChiKey (Click to copy)
SSGXHMNJZLXQIW-DNVGVPOPSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-6,13H,2,7-12H2,1H3/b4-3-,6-5+
SMILES (Click to copy)
C(=C/CCCCCCO)\C=C/CC

Other Databases

CHEBI ID
188211
PubChem CID
5283279

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
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
25th Apr 2022