Structure Database (LMSD)
Common Name
3,4-methylenedodecanoic acid
Systematic Name
3,4-methylenedodecanoic acid
Synonyms
3D model of 3,4-methylenedodecanoic 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)
NZJKQTZCWFZUOY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-11-9-12(11)10-13(14)15/h11-12H,2-10H2,1H3,(H,14,15)
SMILES (Click to copy)
C(CC1CC1CCCCCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
236.04
Topological Polar Surface Area
37.3
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.85
Molar Refractivity
61.84
Admin
Created at
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Updated at
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