Structure Database (LMSD)

Common Name
SFE 14:0(12Z)/2:0
Systematic Name
12Z-Tetradecenyl acetate
Synonyms
LM ID
LMFA07010310
Formula
C16H30O2
Exact Mass
Calculate m/z
254.224581
Sum Composition
SFE 16:1
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
Ostrinia furnacalis (#93504)
Insecta (#50557)
(Z)- and (E)-12-Tetradecenyl Acetates: Sex Pheromone Components of Oriental Corn Borer (Lepidoptera : Pyralidae),
Agric Biol Chem, 1980

String Representations

InChiKey (Click to copy)
CRJBZFQLVNBSHX-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-4H,5-15H2,1-2H3/b4-3-
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCC/C=C\C

Other Databases

CHEBI ID
179808
PubChem CID
5367713

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.31
Molar Refractivity 78.11

Admin

Created at
-
Updated at
19th Feb 2025