Structure Database (LMSD)
Common Name
7:0(6Me,6Me)
Systematic Name
6,6-dimethyl-hexanoic acid
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 7:0(6Me,6Me)
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ephydatia syriaca
(#1191330)
Demospongiae
(#6042)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Chem Phys Lipids, 2003
Pubmed ID:
12691847
String Representations
InChiKey (Click to copy)
AAOISIQFPPAFQO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H18O2/c1-9(2,3)7-5-4-6-8(10)11/h4-7H2,1-3H3,(H,10,11)
SMILES (Click to copy)
C(CCCCC(C)(C)C)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
11
Rings
0
Aromatic Rings
0
Rotatable Bonds
5
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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