Structure Database (LMSD)
Common Name
Ngaione (-)
Systematic Name
(2'S,5'R)-4-methyl-l-(5'-methyl-2',3',4',5'-tetrahydro[2' ',3' '-bifuran]-5'-yl)pentan-2-one
Synonyms
3D model of Ngaione (-)
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
Level 4 Class
String Representations
InChiKey (Click to copy)
WOFDWNOSFDVCDF-LSDHHAIUSA-N
InChi (Click to copy)
InChI=1S/C15H22O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7,10-11,14H,4,6,8-9H2,1-3H3/t14-,15+/m0/s1
SMILES (Click to copy)
C1C([C@@]2([H])O[C@](CC(=O)CC(C)C)(C)CC2)=COC=1
References
Calculated Physicochemical Properties
Heavy Atoms
18
Rings
2
Aromatic Rings
1
Rotatable Bonds
5
Van der Waals Molecular Volume
250.89
Topological Polar Surface Area
41.51
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
4.18
Molar Refractivity
69.76
Admin
Created at
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Updated at
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