Structure Database (LMSD)
Common Name
Allyl tiglate
Systematic Name
prop-2-en-1-yl (2Z)-2-methylbut-2-enoate
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Allyl tiglate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
ODOZNBUSHKFCSH-ALCCZGGFSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5-
SMILES (Click to copy)
O=C(/C(/C)=C\C)OCC=C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
156.62
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.97
Molar Refractivity
41.08
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Created at
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Updated at
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