Structure Database (LMSD)
Common Name
Furfuryl octanoate
Systematic Name
furan-2-ylmethyl octanoate
Synonyms
3D model of Furfuryl octanoate
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)
JNIWCVWKECYDSV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H20O3/c1-2-3-4-5-6-9-13(14)16-11-12-8-7-10-15-12/h7-8,10H,2-6,9,11H2,1H3
SMILES (Click to copy)
O(C(=O)CCCCCCC)CC1OC=CC=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
1
Aromatic Rings
1
Rotatable Bonds
9
Van der Waals Molecular Volume
228.65
Topological Polar Surface Area
39.44
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
3.68
Molar Refractivity
61.88
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Created at
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Updated at
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