Structure Database (LMSD)
Common Name
Furanoid acid - F6
Systematic Name
12,15-epoxy-13,14-dimethyl-12,14-eicosadienoic acid
Synonyms
- 11-(3,4-dimethyl-5-pentylfuran-2-yl)-undecanoic acid
3D model of Furanoid acid - F6
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)
MCTXSZNBSIMKTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H38O3/c1-4-5-12-15-20-18(2)19(3)21(25-20)16-13-10-8-6-7-9-11-14-17-22(23)24/h4-17H2,1-3H3,(H,23,24)
SMILES (Click to copy)
C(O)(=O)CCCCCCCCCCC1OC(CCCCC)=C(C)C=1C
References
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
1
Rotatable Bonds
15
Van der Waals Molecular Volume
384.35
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
6.77
Molar Refractivity
104.30
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Created at
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Updated at
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