Structure Database (LMSD)

OH O
Common Name
2,7-dimethyl-6-nonenoic acid
Systematic Name
2,7-dimethyl-6-nonenoic acid
Synonyms
LM ID
LMFA01020130
Formula
C11H20O2
Exact Mass
Calculate m/z
184.14633
Sum Composition
FA 11:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
UNJOGCWDIKMFQI-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C11H20O2/c1-4-9(2)7-5-6-8-10(3)11(12)13/h5,7,9-10H,4,6,8H2,1-3H3,(H,12,13)/b7-5+
SMILES (Click to copy)
C(C(C)/C=C/CCC(C)C(=O)O)C

References

Other Databases

LIPIDBANK ID
DFA7098
PubChem CID
5282669

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 211.16
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.09
Molar Refractivity 54.63

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Created at
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Updated at
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