Structure Database (LMSD)
Common Name
2,6-Dimethyl-5-heptenoic acid
Systematic Name
2,6-Dimethyl-5-heptenoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2,6-Dimethyl-5-heptenoic 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)
YZGRYUUGPWDZTQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-7(2)5-4-6-8(3)9(10)11/h5,8H,4,6H2,1-3H3,(H,10,11)
SMILES (Click to copy)
C(C(C)CC/C=C(\C)/C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
176.56
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
2.45
Molar Refractivity
45.46
Admin
Created at
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Updated at
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