Structure Database (LMSD)

Common Name
2,4-dimethyl-2E-dodecenoic acid
Systematic Name
2,4-dimethyl-2E-dodecenoic acid
Synonyms
LM ID
LMFA01020132
Status
Active
Exact Mass
Calculate m/z
226.19328
Formula
C14H26O2
Abbrev
FA 14:1
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

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)
OHVNJWXMFIBONR-ACCUITESSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-4-5-6-7-8-9-10-12(2)11-13(3)14(15)16/h11-12H,4-10H2,1-3H3,(H,15,16)/b13-11+
SMILES (Click to copy)
C(CC)CCCCCC(C)/C=C(\C)/C(=O)O

References

Other Databases

CHEBI ID
179350
LIPIDBANK ID
DFA7100
PubChem CID
5282671

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.40
Molar Refractivity 68.55

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Updated at
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