Structure Database (LMSD)
Common Name
Geranyl 2-methylbutyrate
Systematic Name
(2E)-3,7-dimethylocta-2,6-dien-1-yl 2-methylbutanoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Geranyl 2-methylbutyrate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
PEQMAZJTEUEQJP-JLHYYAGUSA-N
InChi (Click to copy)
InChI=1S/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
SMILES (Click to copy)
O=C(C(CC)C)OC/C=C(\C)/CC/C=C(/C)\C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
8
Van der Waals Molecular Volume
277.72
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.55
Molar Refractivity
73.33
Admin
Created at
-
Updated at
-