Structure Database (LMSD)
Common Name
Furfuryl isovalerate
Systematic Name
furan-2-ylmethyl 3-methylbutanoate
Synonyms
3D model of Furfuryl isovalerate
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)
FKGUIBCHHSHJNQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
SMILES (Click to copy)
O(C(=O)CC(C)C)CC1OC=CC=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
1
Aromatic Rings
1
Rotatable Bonds
5
Van der Waals Molecular Volume
176.75
Topological Polar Surface Area
39.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
2.37
Molar Refractivity
47.96
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Created at
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Updated at
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