Structure Database (LMSD)
Common Name
R-ipsdienol
Systematic Name
2-Methyl-6-methylene-2,7-octadien-4R-ol
Synonyms
3D model of R-ipsdienol
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)
NHMKYUHMPXBMFI-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,1,4,7H2,2-3H3/t10-/m0/s1
SMILES (Click to copy)
C/C(/C)=C/[C@H](O)CC(=C)C=C
References
Comments
Pherobase Semiochemicals
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ips amitinus
(#55981)
Insecta
(#50557)
The pheromone bouquet of Ips amitinus.,
Naturwissenschaften, 1980
Naturwissenschaften, 1980
DOI:
10.1007/BF01073623
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
182.43
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
2.73
Molar Refractivity
49.90
Admin
Created at
-
Updated at
31st Mar 2022