Structure Database (LMSD)
Common Name
12,18-dimethyl-nonadecanoic acid
Systematic Name
12,18-dimethylnonadecanoic acid
Synonyms
- 19:0 (12,18-diMe)
3D model of 12,18-dimethyl-nonadecanoic 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
Thermogemmatispora sp.
(#1968838)
Ktedonobacteria
(#388447)
A novel fatty acid, 12,17-dimethyloctadecanoic acid, from the extremophile Thermogemmatispora sp. (Strain T81).,
Lipids, 2012
Lipids, 2012
Pubmed ID:
22476737
String Representations
InChiKey (Click to copy)
WINJIMVSUJWTJU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-19(2)15-11-10-13-17-20(3)16-12-8-6-4-5-7-9-14-18-21(22)23/h19-20H,4-18H2,1-3H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCCC(C)CCCCCC(C)C)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
23
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
386.80
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.21
Molar Refractivity
100.89
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