Structure Database (LMSD)

O O
Common Name
4-Methyl-3-heptyl heptadecanoate
Systematic Name
4-Methyl-3-heptyl heptadecanoate
Synonyms
  • WE(5:0(1Et,2Me)/17:0)
LM ID
LMFA07010655
Formula
C25H50O2
Exact Mass
Calculate m/z
382.38108
Sum Composition
WE 25:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
OBBJXIPPRKTDNK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H50O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(26)27-24(7-3)23(4)21-6-2/h23-24H,5-22H2,1-4H3
SMILES (Click to copy)
O=C(CCCCCCCCCCCCCCCC)OC(CC)C(C)CCC

References

Comments
Pherobase Semiochemicals

Other Databases

PubChem CID
56936028

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 0
Aromatic Rings 0
Rotatable Bonds 21
Van der Waals Molecular Volume 456.00
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 8.90
Molar Refractivity 119.68

Admin

Created at
-
Updated at
-