Structure Database (LMSD)

Common Name
(E)-3,7-Dimethyl-2,6-octadienyl propionate
Systematic Name
(E)-3,7-Dimethyl-2,6-octadienyl propionate
Synonyms
  • WE(8:2(2E,6E)(3Me,7Me)/3:0)
LM ID
LMFA07010614
Formula
C13H22O2
Exact Mass
Calculate m/z
210.16198
Sum Composition
SFE 13:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
BYCHQEILESTMQU-FMIVXFBMSA-N
InChi (Click to copy)
InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
SMILES (Click to copy)
O=C(CC)OC/C=C(\C)/CC/C=C(\C)/C

Other Databases

PubChem CID
5355853

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 243.12
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.92
Molar Refractivity 64.16

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Created at
-
Updated at
6th Jun 2022