Structure Database (LMSD)
Common Name
Ambrettolic acid
Systematic Name
16-hydroxy-7-hexadecenoic acid
Synonyms
3D model of Ambrettolic 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
String Representations
InChiKey (Click to copy)
MKIFOPBVDBXRTO-DUXPYHPUSA-N
InChi (Click to copy)
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4,17H,1,3,5-15H2,(H,18,19)/b4-2+
SMILES (Click to copy)
C(CCCCCCO)C/C=C/CCCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
306.45
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
4.59
Molar Refractivity
79.76
Admin
Created at
-
Updated at
-