Structure Database (LMSD)

O O
Common Name
Undecyl acetate
Systematic Name
Undecyl acetate
Synonyms
LM ID
LMFA07010220
Formula
C13H26O2
Exact Mass
Calculate m/z
214.19328
Sum Composition
SFE 13:0
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]

String Representations

InChiKey (Click to copy)
CKQGCFFDQIFZFA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-15-13(2)14/h3-12H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCC

References

Comments
Pherobase

Other Databases

CHEBI ID
180116
PubChem CID
15605

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 248.40
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.37
Molar Refractivity 64.35

Admin

Created at
-
Updated at
6th Jun 2022