Structure Database (LMSD)
Common Name
3,4-dimethyl-5-propyl-2-furanoctanoic acid;
Systematic Name
8-(3,4-dimethyl-5-propylfuran-2-yl)octanoic acid
Synonyms
- diMeF(9,3)
3D model of 3,4-dimethyl-5-propyl-2-furanoctanoic acid;
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
JGGAKHTVIUIVPQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-4-10-15-13(2)14(3)16(20-15)11-8-6-5-7-9-12-17(18)19/h4-12H2,1-3H3,(H,18,19)
SMILES (Click to copy)
C(C)CC1=C(C)C(C)=C(CCCCCCCC(=O)O)O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
1
Rotatable Bonds
10
Van der Waals Molecular Volume
297.85
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.82
Molar Refractivity
81.22
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Created at
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Updated at
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