Structure Database (LMSD)
Common Name
2-methyl-2-dodecenoic acid
Systematic Name
2-methyl-2-dodecenoic acid
Synonyms
3D model of 2-methyl-2-dodecenoic 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)
JVAKNQLSBYBCSZ-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12(2)13(14)15/h11H,3-10H2,1-2H3,(H,14,15)/b12-11+
SMILES (Click to copy)
C(CC)CCCCCC/C=C(\C)/C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
245.76
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.16
Molar Refractivity
64.00
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Created at
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Updated at
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