Structure Database (LMSD)
Common Name
2,7-dimethyl-6-octenoic acid
Systematic Name
2,7-dimethyl-6-octenoic acid
Synonyms
3D model of 2,7-dimethyl-6-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)
VKYRDDIUSBRMFK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-8(2)6-4-5-7-9(3)10(11)12/h6,9H,4-5,7H2,1-3H3,(H,11,12)
SMILES (Click to copy)
C/C(/C)=C/CCCC(C)C(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
12
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
193.86
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.84
Molar Refractivity
50.08
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Created at
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Updated at
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