Structure Database (LMSD)

Common Name
11E,14E-Octadecadienal
Systematic Name
11E,14E-Octadecadienal
Synonyms
LM ID
LMFA06000233
Formula
C18H32O
Exact Mass
Calculate m/z
264.245316
Sum Composition
FAL 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Andraca (#544636)
Insecta (#50557)
Isolation, identification, and synthesis of sex pheromone components of female tea cluster caterpillar, Andraca bipunctata Walker (Lepidoptera: Bombycidae) in Taiwan.,
J Chem Ecol, 1996

String Representations

InChiKey (Click to copy)
NSHFPFZDITUYCS-AOSYACOCSA-N
InChi (Click to copy)
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h4-5,7-8,18H,2-3,6,9-17H2,1H3/b5-4+,8-7+
SMILES (Click to copy)
C(CCCCCCCCC/C=C/C/C=C/CCC)(=O)[H]

Other Databases

PubChem CID
44256587

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 320.83
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.00
Molar Refractivity 85.42

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Created at
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Updated at
6th Dec 2024