Structure Database (LMSD)
Common Name
6-methyl-5-octenoic acid
Systematic Name
6-methyl-5-octenoic acid
Synonyms
3D model of 6-methyl-5-octenoic 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)
GZECLTXOPLOEJY-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-3-8(2)6-4-5-7-9(10)11/h6H,3-5,7H2,1-2H3,(H,10,11)/b8-6+
SMILES (Click to copy)
C(/C)(\CC)=C/CCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
176.56
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.60
Molar Refractivity
45.53
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Created at
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Updated at
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