Structure Database (LMSD)
Common Name
Allyl nonanoate
Systematic Name
prop-2-en-1-yl nonanoate
Synonyms
3D model of Allyl nonanoate
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)
MFLWLDDOGSNSKO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
SMILES (Click to copy)
O=C(OCC=C)CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
228.46
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.75
Molar Refractivity
59.64
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Created at
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Updated at
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