Structure Database (LMSD)
Common Name
Octadecyl fumarate
Systematic Name
(2Z)-4-(octadecyloxy)-4-oxobut-2-enoic acid
Synonyms
LM ID
LMFA07010979
Formula
Exact Mass
Calculate m/z
368.29266
Sum Composition
Status
Active
3D model of Octadecyl fumarate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
MHQJUHSHQGQVTM-HNENSFHCSA-N
InChi (Click to copy)
InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h18-19H,2-17,20H2,1H3,(H,23,24)/b19-18-
SMILES (Click to copy)
O=C(O)/C=C\C(OCCCCCCCCCCCCCCCCCC)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
0
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
416.40
Topological Polar Surface Area
63.60
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
6.72
Molar Refractivity
107.77
Admin
Created at
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Updated at
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