Structure Database (LMSD)

Common Name
2E,6Z-Octadienyl acetate
Systematic Name
2E,6Z-Octadienyl acetate
Synonyms
LM ID
LMFA07010193
Status
Active
Exact Mass
Calculate m/z
168.11503
Formula
C10H16O2
Abbrev
WE 10:2
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Wax monoesters [FA0701]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
SEUIMDDDOLIIGD-ODYTWBPASA-N
InChi (Click to copy)
InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-4,7-8H,5-6,9H2,1-2H3/b4-3-,8-7+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CC/C=C\C

References

Comments
Pherobase

Other Databases

PubChem CID
20836240

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 191.22
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.75
Molar Refractivity 50.31

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Updated at
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