Structure Database (LMSD)

Systematic Name
ethyl 11Z-hexadecenoate
Synonyms
LM ID
LMFA07011184
Formula
C18H34O2
Exact Mass
Calculate m/z
282.255881
Sum Composition
SFE 18:1
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]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bicyclus martius (#887844)
Insecta (#50557)
Identification and biosynthesis of novel male specific esters in the wings of the tropical butterfly, Bicyclus martius sanaos.,
J Chem Ecol, 2014
Pubmed ID: 24894159

String Representations

InChiKey (Click to copy)
ORDVGMQAZDTLDF-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C18H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h7-8H,3-6,9-17H2,1-2H3/b8-7-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\CCCC)(=O)OCC

Other Databases

PubChem CID
129866809

Calculated Physicochemical Properties

Heavy Atoms 20
Rings
Aromatic Rings
Rotatable Bonds 15
Van der Waals Molecular Volume 332.26
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 6.09
Molar Refractivity 87.34

Admin

Created at
6th Oct 2021
Updated at
6th Jun 2022