Structure Database (LMSD)

Common Name
9E,11Z-Pentadecadienal
Systematic Name
9E,11Z-Pentadecadienal
Synonyms
LM ID
LMFA06000191
Status
Active
Exact Mass
Calculate m/z
222.198365
Formula
C15H26O
Abbrev
FAL 15:2;O
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

String Representations

InChiKey (Click to copy)
HBRILLUVVCIJEX-SCFJQAPRSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h4-7,15H,2-3,8-14H2,1H3/b5-4-,7-6+
SMILES (Click to copy)
C(CCCCCCC/C=C/C=C\CCC)(=O)[H]

References

Comments
Pherobase

Other Databases

PubChem CID
44256581

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 0
Aromatic Rings 0
Rotatable Bonds 11
Van der Waals Molecular Volume 268.93
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.83
Molar Refractivity 71.57

Admin

Created at
-
Updated at
-