Structure Database (LMSD)

Common Name
SFE 16:2(10E,12E)/2:0
Systematic Name
10E,12E-Hexadecadienyl acetate
Synonyms
LM ID
LMFA07010348
Formula
C18H32O2
Exact Mass
Calculate m/z
280.240231
Sum Composition
SFE 18:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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
Diaphania hyalinata (#1209549)
Insecta (#50557)
Female sex pheromone of the melonworm,Diaphania hyalinata (Lepidoptera: Pyralidae), and analysis of male responses to pheromone in a flight tunnel.,
J Chem Ecol, 1986
Pubmed ID: 24306412

String Representations

InChiKey (Click to copy)
CMCBHGAXGCXMIP-BSWSSELBSA-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/h5-8H,3-4,9-17H2,1-2H3/b6-5+,8-7+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCC/C=C/C=C/CCC

Other Databases

CHEBI ID
196507
PubChem CID
5363391

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
2nd Jun 2025