Structure Database (LMSD)
Common Name
Vittatalactone
Systematic Name
3R-Methyl-4R-(1R,3,5,7-tetramethyloctyl)-oxetan-2-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Vittatalactone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CFHHQGFWTMEJQN-CLACGNGHSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-10(2)7-11(3)8-12(4)9-13(5)15-14(6)16(17)18-15/h10-15H,7-9H2,1-6H3/t11?,12?,13-,14-,15-/m1/s1
SMILES (Click to copy)
O1[C@H]([C@@H](CC(C)CC(C)CC(C)C)C)[C@@H](C)C1=O
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
1
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
287.94
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
4.57
Molar Refractivity
75.74
Admin
Created at
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Updated at
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