Structure Database (LMSD)
Common Name
Isoamyl 2-furonpropionate
Systematic Name
3-methylbutyl 3-(furan-2-yl)propanoate
Synonyms
3D model of Isoamyl 2-furonpropionate
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)
ZVMWAVZRUZDYMV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H18O3/c1-10(2)7-9-15-12(13)6-5-11-4-3-8-14-11/h3-4,8,10H,5-7,9H2,1-2H3
SMILES (Click to copy)
O(CCC(C)C)C(=O)CCC1=CC=CO1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
1
Aromatic Rings
1
Rotatable Bonds
7
Van der Waals Molecular Volume
211.35
Topological Polar Surface Area
39.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
3.09
Molar Refractivity
57.93
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Created at
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Updated at
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