Structure Database (LMSD)
Common Name
Menthofuran
Systematic Name
Synonyms
3D model of Menthofuran
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
Level 4 Class
String Representations
InChiKey (Click to copy)
YGWKXXYGDYYFJU-SSDOTTSWSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
SMILES (Click to copy)
C12C[C@@H](CCC=1C(=CO2)C)C
References
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
2
Aromatic Rings
1
Rotatable Bonds
0
Van der Waals Molecular Volume
149.45
Topological Polar Surface Area
13.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.71
Molar Refractivity
44.63
Admin
Created at
-
Updated at
-