Structure Database (LMSD)

O OH
Common Name
2-hexyl-2-decenoic acid
Systematic Name
2-hexyl-2-decenoic acid
Synonyms
LM ID
LMFA01020141
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)
ZXZOWWGAPUWGNK-CCEZHUSRSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2/h14H,3-13H2,1-2H3,(H,17,18)/b15-14+
SMILES (Click to copy)
CCCCCCC/C=C(\CCCCCC)/C(=O)O

References

Other Databases

CHEBI ID
165357
LIPIDBANK ID
DFA7109
PubChem CID
5282680

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.33
Molar Refractivity 77.85

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Created at
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Updated at
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