Structure Database (LMSD)

Common Name
2E-Octenyl acetate
Systematic Name
2E-Octenyl acetate
Synonyms
LM ID
LMFA07010188
Status
Active
Exact Mass
Calculate m/z
170.13068
Formula
C10H18O2
Abbrev
WE 10:1
Show lipids differing only in stereochemistry/bond geometry
Download as...
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)
MBRLTLPMVMFRTJ-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+
SMILES (Click to copy)
O(C(=O)C)C/C=C/CCCCC

References

Comments
Pherobase

Other Databases

CHEBI ID
180238
PubChem CID
5463875

Calculated Physicochemical Properties

Heavy Atoms 12
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 193.86
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 2.97
Molar Refractivity 50.41

Admin

Created at
-
Updated at
-