Structure Database (LMSD)
Common Name
Vittatalactone
Systematic Name
3R-Methyl-4R-(1R,3,5,7-tetramethyloctyl)-oxetan-2-one
Synonyms
3D model of Vittatalactone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
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
Other Databases
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
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Created at
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Updated at
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