Structure Database (LMSD)

Common Name
3-Methylene-7-methyl-7-octenyl propionate
Systematic Name
3-Methylene-7-methyl-7-octenyl propionate
Synonyms
  • WE(8:1(7)(3My,7Me)/3:0)
LM ID
LMFA07010610
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
SFE 13:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
HZTKMMXHERVWFC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h11H,4-10H2,1-3H3
SMILES (Click to copy)
O=C(CC)OCCC(=C)CCCC(C)C

Other Databases

CHEBI ID
195951
PubChem CID
56936012

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.00
Molar Refractivity 64.19

Admin

Created at
-
Updated at
6th Jun 2022