Structure Database (LMSD)
Common Name
8E-octadecenyl heptadecanoate
Systematic Name
8E-octadecenyl heptadecanoate
Synonyms
- WE(18:1(8E)/17:0)
3D model of 8E-octadecenyl heptadecanoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CWCJUHWQOPRDLE-QZQOTICOSA-N
InChi (Click to copy)
InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h20-21H,3-19,22-35H2,1-2H3/b21-20+
SMILES (Click to copy)
C(C)CCCCCCCCCCCCCCC(OCCCCCCC/C=C/CCCCCCCCCC)=O
References
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
33
Van der Waals Molecular Volume
643.66
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
13.11
Molar Refractivity
170.45
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Created at
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Updated at
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