Structure Database (LMSD)
Common Name
4-Methyl-3-heptyl linoleate
Systematic Name
4-Methyl-3-heptyl 9Z,12Z-octadecadienoate
Synonyms
- WE(5:0(1Et,2Me)/18:2(9Z,12Z))
3D model of 4-Methyl-3-heptyl linoleate
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)
MYBYIJWCTLITRC-HDXUUTQWSA-N
InChi (Click to copy)
InChI=1S/C26H48O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-25(7-3)24(4)22-6-2/h11-12,14-15,24-25H,5-10,13,16-23H2,1-4H3/b12-11-,15-14-
SMILES (Click to copy)
O=C(CCCCCCC/C=C\C/C=C\CCCCC)OC(CC)C(C)CCC
References
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
468.02
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
8.84
Molar Refractivity
124.11
Admin
Created at
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Updated at
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