Structure Database (LMSD)
Common Name
2,4-dimethyl-2-eicosenoic acid
Systematic Name
2,4-dimethyl-2-eicosenoic acid
Synonyms
3D model of 2,4-dimethyl-2-eicosenoic 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
synthetic construct
(#32630)
Methyl-substituted αβ-unsaturated acids. Part II,
J Chem Soc, 1955
J Chem Soc, 1955
DOI:
10.1039/JR9550001547
String Representations
InChiKey (Click to copy)
LHBAARNMEIXEDK-XUTLUUPISA-N
InChi (Click to copy)
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(2)19-21(3)22(23)24/h19-20H,4-18H2,1-3H3,(H,23,24)/b21-19+
SMILES (Click to copy)
C(CCCCCCCCCC)CCCCCC(C)/C=C(\C)/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
401.46
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
7.52
Molar Refractivity
105.49
Admin
Created at
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Updated at
9th Dec 2025