Structure Database (LMSD)
Common Name
2,5-dimethyl-dodecanoic acid
Systematic Name
2,5-dimethyl-dodecanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2,5-dimethyl-dodecanoic 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
String Representations
InChiKey (Click to copy)
ABQDDNHUZOOWMZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H28O2/c1-4-5-6-7-8-9-12(2)10-11-13(3)14(15)16/h12-13H,4-11H2,1-3H3,(H,15,16)
SMILES (Click to copy)
C(C(C)CCC(C)CCCCCCC)(=O)O
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
Admin
Created at
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Updated at
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