Structure Database (LMSD)

Common Name
Butyl 2-decenoate
Systematic Name
butyl (2E)-dec-2-enoate
Synonyms
LM ID
LMFA07010791
Formula
C14H26O2
Exact Mass
Calculate m/z
226.19328
Sum Composition
SFE 14:1
Status
Curated
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]

Biological Context

String Representations

InChiKey (Click to copy)
DTCZJIDFDTTXSG-VAWYXSNFSA-N
InChi (Click to copy)
InChI=1S/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h11-12H,3-10,13H2,1-2H3/b12-11+
SMILES (Click to copy)
CCCCCCC/C=C/C(=O)OCCCC

Other Databases

HMDB ID
HMDB0037369
CHEBI ID
171875
PubChem CID
5463906
NP-MRD ID(NMR)
NP0338189

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 263.06
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.53
Molar Refractivity 68.87

Admin

Created at
-
Updated at
6th Jun 2022