Structure Database (LMSD)
Common Name
Curmadione
Systematic Name
Synonyms
3D model of Curmadione
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
Level 4 Class
String Representations
InChiKey (Click to copy)
JXBMAOPQNNTXPM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-5-13(16)9-12-6-7-14(10(2)3)15(17)8-11(12)4/h6,11H,5,7-9H2,1-4H3
SMILES (Click to copy)
C1(CC(=O)CC)C(C)CC(=O)/C(=C(\C)/C)/CC=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
1
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
262.72
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.62
Molar Refractivity
69.78
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Created at
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Updated at
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