Structure Database (LMSD)
Common Name
Geranic acid
Systematic Name
3,7-Dimethyl-2E,6-octadienoic acid
Synonyms
- (2E)-3,7-dimethylocta-2,6-dienoic acid
3D model of Geranic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
ZHYZQXUYZJNEHD-VQHVLOKHSA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
SMILES (Click to copy)
C(/C=C(\C)/CC/C=C(\C)/C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
191.22
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.76
Molar Refractivity
50.06
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Created at
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Updated at
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