Structure Database (LMSD)
Common Name
10,13-Epoxy-11-methyloctadeca-10,12-dienoic acid
Systematic Name
9-(3-Methyl-5-pentylfuran-2-yl)nonanoic acid
Synonyms
- 9-(3-methyl-5-pentylfuran-2-yl)-nonanoic acid
- 3-Methyl-5-pentyl-2-furannonanoic acid
- 9M5
3D model of 10,13-Epoxy-11-methyloctadeca-10,12-dienoic 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)
TUQVXFOSXOCQCM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H32O3/c1-3-4-9-12-17-15-16(2)18(22-17)13-10-7-5-6-8-11-14-19(20)21/h15H,3-14H2,1-2H3,(H,20,21)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCC1OC(CCCCC)=CC=1C
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
1
Aromatic Rings
1
Rotatable Bonds
13
Van der Waals Molecular Volume
332.45
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
5.68
Molar Refractivity
90.33
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Created at
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Updated at
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