Structure Database (LMSD)

Common Name
SFE 16:2(10Z,12E)/2:0
Systematic Name
10Z,12E-Hexadecadienyl acetate
Synonyms
LM ID
LMFA07010369
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
SFE 18:2
Status
Active
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
synthetic construct (#32630)
Attraction of sphingid moths (Lepidoptera: Sphingidae) to 10,12-hexadecadienyl aldehydes and acetates: Evidence of pheromone components.,
J Chem Ecol, 1987
Pubmed ID: 24302058

String Representations

InChiKey (Click to copy)
CMCBHGAXGCXMIP-MDAAKZFYSA-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
196498
PubChem CID
14479658

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

Admin

Created at
-
Updated at
3rd Sep 2024