Structure Database (LMSD)

Common Name
2-(1,2-tetra-decadienyl)-cyclopropanecarboxylic acid
Systematic Name
2-(1,2-tetra-decadienyl)-cyclopropanecarboxylic acid
Synonyms
LM ID
LMFA01140062
Formula
C18H30O2
Exact Mass
Calculate m/z
278.22458
Sum Composition
FA 18:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
UJLCTWQAXHCCFC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(16)18(19)20/h12,14,16-17H,2-11,15H2,1H3,(H,19,20)
SMILES (Click to copy)
C(C1CC1C=C=CCCCCCCCCCCC)(=O)O

Other Databases

PubChem CID
129726852

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 317.26
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.34
Molar Refractivity 83.73

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Created at
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Updated at
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