Structure Database (LMSD)

Common Name
(Z)-7-Dodecenyl butyrate
Systematic Name
(Z)-7-Dodecenyl butyrate
Synonyms
  • WE(12:1(7Z)/4:0)
LM ID
LMFA07010537
Formula
C16H30O2
Exact Mass
Calculate m/z
254.22458
Sum Composition
SFE 16:1
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]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
ATOKUZXHPHZAIX-FPLPWBNLSA-N
InChi (Click to copy)
InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h7-8H,3-6,9-15H2,1-2H3/b8-7-
SMILES (Click to copy)
O=C(CCC)OCCCCCC/C=C\CCCC

Other Databases

CHEBI ID
179796
PubChem CID
56935985

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 297.66
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.31
Molar Refractivity 78.11

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Created at
-
Updated at
6th Jun 2022