Structure Database (LMSD)
Common Name
Nerolic acid
Systematic Name
3,7-dimethyl-2Z,6-octadienoic acid
Synonyms
3D model of Nerolic acid
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Apis mellifera
(#7460)
Insecta
(#50557)
Identification of Nerolic and Geranic Acids in the Nassanoff Pheromone of the Honey Bee,
Nature, 1964
Nature, 1964
DOI:
10.1038/202320a0
String Representations
InChiKey (Click to copy)
ZHYZQXUYZJNEHD-CLFYSBASSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7-
SMILES (Click to copy)
C(/C=C(/C)\CC/C=C(\C)/C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
191.22
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.76
Molar Refractivity
50.06
Admin
Created at
-
Updated at
12th Feb 2021