Structure Database (LMSD)
Common Name
Isopropyl hexadecanoate
Systematic Name
Isopropyl hexadecanoate
Synonyms
- WE(2:0(1Me)/16:0)
3D model of Isopropyl hexadecanoate
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)
XUGNVMKQXJXZCD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCC)OC(C)C
References
Comments
Pherobase Semiochemicals
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
352.20
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.71
Molar Refractivity
92.05
Admin
Created at
-
Updated at
6th Jun 2022