Structure Database (LMSD)
Systematic Name
ethyl 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
Classification
References
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
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