Structure Database (LMSD)

Common Name
SFE 16:2(4E,6Z)/2:0
Systematic Name
4E,6Z-Hexadecadienyl acetate
Synonyms
LM ID
LMFA07010357
Formula
C18H32O2
Exact Mass
Calculate m/z
280.240231
Sum Composition
SFE 18:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Stathmopoda masinissa (#1511825)
Insecta (#50557)
Sex pheromone of the persimmon fruit moth, Stathmopoda masinissa: identification and laboratory bioassay of (4E, 6Z)-4,6-hexadecadien-1-ol derivatives.,
J Chem Ecol, 2003
Pubmed ID: 14682526

String Representations

InChiKey (Click to copy)
HCQKUIBZXJOAOA-RCWDKCQFSA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h11-14H,3-10,15-17H2,1-2H3/b12-11-,14-13+
SMILES (Click to copy)
O(C(=O)C)CCC/C=C/C=C\CCCCCCCCC

Other Databases

CHEBI ID
196509
PubChem CID
44256553

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.87
Molar Refractivity 87.25

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Created at
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Updated at
28th May 2025