Structure Database (LMSD)

Common Name
2,5-dimethyl-2E-tridecenoic acid
Systematic Name
2,5-dimethyl-2E-tridecenoic acid
Synonyms
LM ID
LMFA01020109
Formula
C15H28O2
Exact Mass
Calculate m/z
240.20893
Sum Composition
FA 15:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
GEHLKZFXBXCLPH-WYMLVPIESA-N
InChi (Click to copy)
InChI=1S/C15H28O2/c1-4-5-6-7-8-9-10-13(2)11-12-14(3)15(16)17/h12-13H,4-11H2,1-3H3,(H,16,17)/b14-12+
SMILES (Click to copy)
C(CCC)CCCCC(C)C/C=C(\C)/C(=O)O

Other Databases

LIPIDBANK ID
DFA7077
PubChem CID
5282657

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 280.36
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.79
Molar Refractivity 73.17

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Created at
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Updated at
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