Structure Database (LMSD)
Common Name
Furfuryl pentanoate
Systematic Name
furan-2-ylmethyl pentanoate
Synonyms
3D model of Furfuryl pentanoate
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)
HRYAVTBTUKVHBU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3
SMILES (Click to copy)
O(C(=O)CCCC)CC1OC=CC=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
13
Rings
1
Aromatic Rings
1
Rotatable Bonds
6
Van der Waals Molecular Volume
176.75
Topological Polar Surface Area
39.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
2.51
Molar Refractivity
48.03
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Created at
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Updated at
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