Structure Database (LMSD)
Common Name
3R,5S-Dimethyldodecanoic acid
Systematic Name
3R,5S-Dimethyldodecanoic acid
Synonyms
3D model of 3R,5S-Dimethyldodecanoic acid
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
String Representations
InChiKey (Click to copy)
BJCDOTOCKDZJAQ-QWHCGFSZSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-13(3)11-14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)/t12-,13+/m0/s1
SMILES (Click to copy)
C(C[C@H](C)C[C@@H](C)CCCCCCC)(=O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Prionus californicus
(#173819)
Insecta
(#50557)
Determination of the relative and absolute configurations of the female-produced sex pheromone of the cerambycid beetle Prionus californicus.,
J Chem Ecol, 2011
J Chem Ecol, 2011
Pubmed ID:
21127949
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
265.70
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.48
Molar Refractivity
68.57
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Updated at
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