Structure Database (LMSD)
Common Name
Anteisononanoic acid
Systematic Name
6-methyl-octanoic acid
Synonyms
- Isopelargonic acid
- 6-methyl caprylic acid
3D model of Anteisononanoic 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)
GPOPHQSTNHUENT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-3-8(2)6-4-5-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
SMILES (Click to copy)
CCC(C)CCCCC(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
179.20
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.68
Molar Refractivity
45.56
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Updated at
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