Structure Database (LMSD)
Common Name
LLU-alpha
Systematic Name
(2S)-2,7,8-Trimethyl-6-hydroxychroman-2-propanoic acid
Synonyms
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VMJQLPNCUPGMNQ-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)/t15-/m0/s1
SMILES (Click to copy)
C1(C)=C(C)C2O[C@@](CCC(=O)O)(C)CCC=2C=C1O
References
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
2
Aromatic Rings
1
Rotatable Bonds
3
Van der Waals Molecular Volume
257.04
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.24
Molar Refractivity
72.32
Admin
Created at
4th Jun 2021
Updated at
4th Jun 2021