Structure Database (LMSD)
Common Name
8-Methylnonenoic acid
Systematic Name
(6E)-8-methylnon-6-enoic acid
Synonyms
3D model of 8-Methylnonenoic acid
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)
OCALSPDXYQHUHA-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-9(2)7-5-3-4-6-8-10(11)12/h5,7,9H,3-4,6,8H2,1-2H3,(H,11,12)/b7-5+
SMILES (Click to copy)
CC(/C=C/CCCCC(=O)O)C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Capsicum annuum
(#4072)
Magnoliopsida
(#3398)
Separation and quantitation of red pepper major heat principles by reverse-phase high-pressure liquid chromatography,
J Agric Food Chem, 1983
J Agric Food Chem, 1983
DOI:
10.1021/jf00120a044
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.84
Molar Refractivity
50.08
Admin
Created at
-
Updated at
6th Jun 2022