Structure Database (LMSD)

O O O
Common Name
Furfuryl pentanoate
Systematic Name
furan-2-ylmethyl pentanoate
Synonyms
LM ID
LMFA07010892
Formula
C10H14O3
Exact Mass
Calculate m/z
182.094295
Sum Composition
WE 10:3;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

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

References

Other Databases

HMDB ID
HMDB0037727
CHEBI ID
179569
PubChem CID
61955

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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Updated at
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