Structure Database (LMSD)

Common Name
3E,5E-Decadienyl acetate
Systematic Name
3E,5E-Decadienyl acetate
Synonyms
LM ID
LMFA07010205
Status
Active
Exact Mass
Calculate m/z
196.14633
Formula
C12H20O2
Abbrev
WE 12:2
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)
BBALEUFMAFGKSL-BLHCBFLLSA-N
InChi (Click to copy)
InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h6-9H,3-5,10-11H2,1-2H3/b7-6+,9-8+
SMILES (Click to copy)
O(C(=O)C)CC/C=C/C=C/CCCC

References

Comments
Pherobase

Other Databases

PubChem CID
9942397

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 225.82
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.53
Molar Refractivity 59.55

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Updated at
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