Structure Database (LMSD)
Systematic Name
2-Phenylethyl 11Z-hexadecenoate
Synonyms
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
SICIUJCAQVBMHR-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C24H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(25)26-22-21-23-18-15-14-16-19-23/h5-6,14-16,18-19H,2-4,7-13,17,20-22H2,1H3/b6-5-
SMILES (Click to copy)
C(CCCCCCCCC/C=C\CCCC)(=O)OCCC1=CC=CC=C1
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
J Chem Ecol, 2014
Pubmed ID:
24894159
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
1
Aromatic Rings
1
Rotatable Bonds
17
Van der Waals Molecular Volume
404.88
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors
2
logP
7.31
Molar Refractivity
111.81
Admin
Created at
6th Oct 2021
Updated at
6th Oct 2021