Structure Database (LMSD)
Common Name
Myrtenal
Systematic Name
Synonyms
3D model of Myrtenal
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
String Representations
InChiKey (Click to copy)
KMRMUZKLFIEVAO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3
SMILES (Click to copy)
C12C(C=O)=CCC(C1)C2(C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
3
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
156.55
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
2.18
Molar Refractivity
44.14
Admin
Created at
-
Updated at
-