Structure Database (LMSD)
Common Name
4-Methylheptane-3,5-dione
Systematic Name
4-Methylheptane-3,5-dione
Synonyms
3D model of 4-Methylheptane-3,5-dione
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)
FIJLPSJMPXGRJL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H14O2/c1-4-7(9)6(3)8(10)5-2/h6H,4-5H2,1-3H3
SMILES (Click to copy)
CCC(=O)C(C)C(=O)CC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
159.26
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
1.58
Molar Refractivity
39.76
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Created at
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Updated at
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