Structure Database (LMSD)

O O
Common Name
Ethyl 10-undecenoate
Systematic Name
ethyl undec-10-enoate
Synonyms
LM ID
LMFA07010850
Formula
C13H24O2
Exact Mass
Calculate m/z
212.17763
Sum Composition
SFE 13:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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]

String Representations

InChiKey (Click to copy)
FXNFFCMITPHEIT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3H,1,4-12H2,2H3
SMILES (Click to copy)
CCOC(=O)CCCCCCCCC=C

References

Other Databases

HMDB ID
HMDB0034286
CHEBI ID
171792
PubChem CID
12729

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
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

Admin

Created at
-
Updated at
6th Jun 2022