Structure Database (LMSD)
Common Name
37:3 methyl alkenone
Systematic Name
8E,15E,22E-heptatriacontatetraen-2-one
Synonyms
3D model of 37:3 methyl alkenone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
BVZVGJNVBQWQNU-OVNHWCOASA-N
InChi (Click to copy)
InChI=1S/C37H68O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)38/h16-17,23-24,30-31H,3-15,18-22,25-29,32-36H2,1-2H3/b17-16+,24-23+,31-30+
SMILES (Click to copy)
C(/C=C/CCCCC/C=C/CCCCCCCCCCCCCC)CCCC/C=C/CCCCCC(=O)C
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Isochrysis sp.
(#40639)
Synthesis and Analysis of an Alkenone-Free Biodiesel from Isochrysis sp.,
Energy Fuels, 2014
Energy Fuels, 2014
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
0
Aromatic Rings
0
Rotatable Bonds
31
Van der Waals Molecular Volume
646.89
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
13.19
Molar Refractivity
173.05
Admin
Created at
7th Jun 2020
Updated at
7th Jun 2020