Structure Database (LMSD)
Common Name
Allyl valerate
Systematic Name
prop-2-en-1-yl pentanoate
Synonyms
3D model of Allyl valerate
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)
PWYXVVREDGESBB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3
SMILES (Click to copy)
CCCCC(OCC=C)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
2.19
Molar Refractivity
41.17
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Created at
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Updated at
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