Structure Database (LMSD)

O O
Common Name
10,14-Dimethylpentadecyl butyrate
Systematic Name
10,14-Dimethylpentadecyl butyrate
Synonyms
  • WE(15:0(10Me,14Me)/4:0)
LM ID
LMFA07010556
Formula
C21H42O2
Exact Mass
Calculate m/z
326.31848
Sum Composition
SFE 21:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
ASRYBUDTPZEKTO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H42O2/c1-5-14-21(22)23-18-12-10-8-6-7-9-11-16-20(4)17-13-15-19(2)3/h19-20H,5-18H2,1-4H3
SMILES (Click to copy)
O=C(CCC)OCCCCCCCCCC(C)CCCC(C)C

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56935994

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 386.80
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 7.20
Molar Refractivity 101.15

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Created at
-
Updated at
6th Jun 2022