Structure Database (LMSD)
Systematic Name
3-Hexaprenyl-4-hydroxybenzoic acid
Synonyms
3D model of
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)
LKMQQQABIGIHGL-LAAQXVIISA-N
InChi (Click to copy)
InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+
SMILES (Click to copy)
OC(=O)C1C=C(C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)\C)\C)\C)\C)\C)\C)C(O)=CC=1
References
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
1
Aromatic Rings
1
Rotatable Bonds
18
Van der Waals Molecular Volume
625.37
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
11.23
Molar Refractivity
173.16
Admin
Created at
-
Updated at
-