Structure Database (LMSD)

Common Name
R-ipsdienol
Systematic Name
2-Methyl-6-methylene-2,7-octadien-4R-ol
Synonyms
LM ID
LMPR0102010026
Formula
C10H16O
Exact Mass
Calculate m/z
152.120115
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C10 isoprenoids (monoterpenes) [PR0102]
Acyclic monoterpenoids [PR010201]

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

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

Other Databases

CHEBI ID
84970
PubChem CID
181296

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