Structure Database (LMSD)

O O
Common Name
12E-Pentadecenyl acetate
Systematic Name
12E-Pentadecenyl acetate
Synonyms
LM ID
LMFA07010332
Formula
C17H32O2
Exact Mass
Calculate m/z
268.24023
Sum Composition
SFE 17:1
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)
UFAHMCAVBZEXPI-SNAWJCMRSA-N
InChi (Click to copy)
InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(2)18/h4-5H,3,6-16H2,1-2H3/b5-4+
SMILES (Click to copy)
O(C(=O)C)CCCCCCCCCCC/C=C/CC

References

Comments
Pherobase

Other Databases

PubChem CID
18183535

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 314.96
Topological Polar Surface Area 26.30
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.70
Molar Refractivity 82.72

Admin

Created at
-
Updated at
6th Jun 2022