Structure Database (LMSD)

Common Name
SFE 12:0(10Me)/2:0
Systematic Name
10-Methyldodecyl acetate
Synonyms
  • SFE(12:0(10Me)/2:0)
LM ID
LMFA07010221
Formula
C15H30O2
Exact Mass
Calculate m/z
242.22458
Sum Composition
SFE 15:0
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
unclassified Adoxophyes (#2636694)
Insecta (#50557)
Biological Activities of Analogues of 10-Methyldodecyl Acetate, a Sex-Pheromonal Component of the Smaller Tea Tortrix Moth(Adoxophyes sp., Lepidoptera : Tortricidae),
Appl Entomol Zool, 1984

String Representations

InChiKey (Click to copy)
WUVOJIMYHUYERX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H30O2/c1-4-14(2)12-10-8-6-5-7-9-11-13-17-15(3)16/h14H,4-13H2,1-3H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC(C)CC

Other Databases

CHEBI ID
196020
PubChem CID
15571325

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 283.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.00
Molar Refractivity 73.51

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Created at
-
Updated at
15th Aug 2023