Structure Database (LMSD)
Common Name
Allyl undecylenate
Systematic Name
prop-2-en-1-yl undec-10-enoate
Synonyms
3D model of Allyl undecylenate
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)
VJOZUTGJXVDWDJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-14(15)16-13-4-2/h3-4H,1-2,5-13H2
SMILES (Click to copy)
C=CCCCCCCCCC(OCC=C)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
12
Van der Waals Molecular Volume
260.42
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.31
Molar Refractivity
68.78
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Created at
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Updated at
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