Structure Database (LMSD)

O OH
Common Name
6-isopentyl-9-methyl-5-decenoic acid
Systematic Name
6-isopentyl-9-methyl-5-decenoic acid
Synonyms
LM ID
LMFA01020142
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)
KELKYPRDCHFVOX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-13(2)9-11-15(12-10-14(3)4)7-5-6-8-16(17)18/h7,13-14H,5-6,8-12H2,1-4H3,(H,17,18)
SMILES (Click to copy)
CC(C)CC/C(/CCC(C)C)=C/CCCC(=O)O

References

Other Databases

CHEBI ID
179831
LIPIDBANK ID
DFA7110
PubChem CID
5282681

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.04
Molar Refractivity 77.71

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Created at
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Updated at
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