Structure Database (LMSD)

O OH
Common Name
5,6-methylene-tridecanoic acid
Systematic Name
5,6-methylene-tridecanoic acid
Synonyms
  • 2-Heptylcyclopropanebutanoic acid
LM ID
LMFA01140047
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
FA 14:1
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]
Carbocyclic fatty acids [FA0114]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
KWRQIHPPLYNYJK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-2-3-4-5-6-8-12-11-13(12)9-7-10-14(15)16/h12-13H,2-11H2,1H3,(H,15,16)
SMILES (Click to copy)
C1(CCCC(O)=O)CC1CCCCCCC

References

Other Databases

PubChem CID
131839795
PlantFA ID
10317

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 1
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 253.34
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.24
Molar Refractivity 66.46

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Created at
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Updated at
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