Structure Database (LMSD)

O O
Common Name
(E)-3,7-Dimethyl-2,6-octadienyl heptanoate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl heptanoate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/7:0)
LM ID
LMFA07010619
Formula
C17H30O2
Exact Mass
Calculate m/z
266.22458
Sum Composition
WE 17:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
NSMHPPLPBQPIQJ-DTQAZKPQSA-N
InChi (Click to copy)
InChI=1S/C17H30O2/c1-5-6-7-8-12-17(18)19-14-13-16(4)11-9-10-15(2)3/h10,13H,5-9,11-12,14H2,1-4H3/b16-13+
SMILES (Click to copy)
O=C(CCCCCC)OC/C=C(\C)/CC/C=C(\C)/C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
6450452

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 312.32
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.48
Molar Refractivity 82.63

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Created at
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Updated at
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