Structure Database (LMSD)

Common Name
7E-Decenyl acetate
Systematic Name
7E-Decenyl acetate
Synonyms
LM ID
LMFA07010204
Formula
C12H22O2
Exact Mass
Calculate m/z
198.16198
Sum Composition
SFE 12:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Short fatty esters [FA0710]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
DEOHUYGDZACDBU-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h4-5H,3,6-11H2,1-2H3/b5-4+
SMILES (Click to copy)
O(C(=O)C)CCCCCC/C=C/CC

Other Databases

CHEBI ID
179187
PubChem CID
5363507

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 228.46
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.75
Molar Refractivity 59.64

Admin

Created at
-
Updated at
6th Jun 2022