Structure Database (LMSD)

O OH
Common Name
2,4-dimethyl-2E-tetradecenoic acid
Systematic Name
2,4-dimethyl-2E-tetradecenoic acid
Synonyms
LM ID
LMFA01020133
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
FA 16:1
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)
NPIJNQJBRSVMRD-FYWRMAATSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-14(2)13-15(3)16(17)18/h13-14H,4-12H2,1-3H3,(H,17,18)/b15-13+
SMILES (Click to copy)
C(CCCC)CCCCCC(C)/C=C(\C)/C(=O)O

References

Other Databases

CHEBI ID
179829
LIPIDBANK ID
DFA7101
PubChem CID
5282672

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.18
Molar Refractivity 77.78

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Created at
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Updated at
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