Structure Database (LMSD)
Common Name
Nepetalactone cis-trans-form
Systematic Name
Synonyms
3D model of Nepetalactone cis-trans-form
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)
ZDKZHVNKFOXMND-NBEYISGCSA-N
InChi (Click to copy)
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8+,9+/m0/s1
SMILES (Click to copy)
[C@@]12([H])C(C)=COC(=O)[C@]1([H])[C@@H](C)CC2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
2
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
169.14
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.11
Molar Refractivity
45.23
Admin
Created at
-
Updated at
-