Structure Database (LMSD)
Common Name
3-methyl-heptanoic acid
Systematic Name
3-methyl-heptanoic acid
Synonyms
3D model of 3-methyl-heptanoic acid
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
String Representations
InChiKey (Click to copy)
DVESMWJFKVAFSP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H16O2/c1-3-4-5-7(2)6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
SMILES (Click to copy)
CCCCC(C)CC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
10
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
161.90
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.29
Molar Refractivity
40.94
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Created at
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Updated at
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