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
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
Other Databases
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
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Created at
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Updated at
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