Structure Database (LMSD)
Common Name
7-methoxy-dodec-4-enoic acid
Systematic Name
7-methoxy-4E-dodecenoic acid
Synonyms
3D model of 7-methoxy-dodec-4-enoic 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)
KBMNVOKQUUZFOO-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C13H24O3/c1-3-4-6-9-12(16-2)10-7-5-8-11-13(14)15/h5,7,12H,3-4,6,8-11H2,1-2H3,(H,14,15)/b7-5+
SMILES (Click to copy)
CCCCCC(OC)C/C=C/CCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
254.55
Topological Polar Surface Area
46.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.68
Molar Refractivity
66.08
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Created at
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Updated at
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