Structure Database (LMSD)

Common Name
Methyl 2,6-dimethyl-tetradecanoate
Systematic Name
Methyl 2,6-dimethyl-tetradecanoate
Synonyms
  • WE(1:0/14:0(2Me,6Me))
LM ID
LMFA07010488
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
SFE 17:0
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]
Branched fatty acids [FA0102]

References

Comments
Pherobase Semiochemicals

String Representations

InChiKey (Click to copy)
GEHLQHHIWRFUCM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-5-6-7-8-9-10-12-15(2)13-11-14-16(3)17(18)19-4/h15-16H,5-14H2,1-4H3
SMILES (Click to copy)
O=C(C(C)CCCC(C)CCCCCCCC)OC

Other Databases

CHEBI ID
179967
PubChem CID
56935976

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 317.60
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.35
Molar Refractivity 82.19

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Created at
-
Updated at
6th Jun 2022