Structure Database (LMSD)
Common Name
7-(3-methyl-5-pentylfuran-2-yl)-heptanoic acid
Systematic Name
7-(5-pentyl-3-methylfuran-2-yl)-heptanoic acid
Synonyms
- 7M5
- 3-methyl-5-pentyl-2-furanheptanoic acid
No other lipid differing only in stereochemistry/bond geometry found
3D model of 7-(3-methyl-5-pentylfuran-2-yl)-heptanoic 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)
LTMUZWVWMSMAQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H28O3/c1-3-4-7-10-15-13-14(2)16(20-15)11-8-5-6-9-12-17(18)19/h13H,3-12H2,1-2H3,(H,18,19)
SMILES (Click to copy)
C(CC)CCC1=CC(C)=C(CCCCCCC(=O)O)O1
References
Calculated Physicochemical Properties
Heavy Atoms
20
Rings
1
Aromatic Rings
1
Rotatable Bonds
11
Van der Waals Molecular Volume
297.85
Topological Polar Surface Area
50.44
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.90
Molar Refractivity
81.10
Admin
Created at
-
Updated at
-