Structure Database (LMSD)
Common Name
4,4'-Diaponeurosporenic acid
Systematic Name
2,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenoic acid
Synonyms
3D model of 4,4'-Diaponeurosporenic acid
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
Level 4 Class
References
String Representations
InChiKey (Click to copy)
NXJSQJIGCCIMAE-ORIYTCASSA-N
InChi (Click to copy)
InChI=1S/C30H40O2/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30(31)32/h8-9,11-16,18-23H,10,17H2,1-7H3,(H,31,32)/b9-8+,18-11+,19-12+,22-13+,25-15+,26-16+,27-20+,28-21+,29-23+
SMILES (Click to copy)
C(O)(=O)/C(/C)=C/C=C/C(=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
Aromatic Rings
Rotatable Bonds
12
Van der Waals Molecular Volume
516.10
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.77
Molar Refractivity
141.65
Admin
Created at
29th Oct 2021
Updated at
29th Oct 2021