Structure Database (LMSD)

Common Name
8E-Undecenyl acetate
Systematic Name
8E-Undecenyl acetate
Synonyms
LM ID
LMFA07010213
Status
Active
Exact Mass
Calculate m/z
212.17763
Formula
C13H24O2
Abbrev
WE 13:1
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)
PRTUIHSPUMKFOO-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h4-5H,3,6-12H2,1-2H3/b5-4+
SMILES (Click to copy)
O(C(=O)C)CCCCCCC/C=C/CC

References

Comments
Pherobase

Other Databases

PubChem CID
23269800

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 245.76
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.14
Molar Refractivity 64.26

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Updated at
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