Structure Database (LMSD)

O O
Common Name
Decyl acetate
Systematic Name
Decyl acetate
Synonyms
LM ID
LMFA07010212
Formula
C12H24O2
Exact Mass
Calculate m/z
200.17763
Sum Composition
SFE 12:0
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)
NUPSHWCALHZGOV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCC

References

Comments
Pherobase

Other Databases

HMDB ID
HMDB0040166
CHEBI ID
179750
PubChem CID
8167

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 231.10
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.97
Molar Refractivity 59.73

Admin

Created at
-
Updated at
6th Jun 2022