Structure Database (LMSD)

O O
Common Name
2,6-Dimethyl-5-heptenyl octanoate
Systematic Name
2,6-Dimethyl-5-heptenyl octanoate
Synonyms
  • WE(7:1(5)(2Me,6Me)/8:0)
LM ID
LMFA07010596
Formula
C17H34O2
Exact Mass
Calculate m/z
270.25588
Sum Composition
WE 17:0
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)
QLVHYLFZYNWOCF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H34O2/c1-5-6-7-8-9-13-17(18)19-14-16(4)12-10-11-15(2)3/h15-16H,5-14H2,1-4H3
SMILES (Click to copy)
O=C(CCCCCCC)OCC(C)CCCC(C)C

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179966
PubChem CID
56936005

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 5.64
Molar Refractivity 82.68

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Created at
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Updated at
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