Structure Database (LMSD)
Common Name
2-Heptacosanone
Systematic Name
heptacosane-2-one
Synonyms
3D model of 2-Heptacosanone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
String Representations
InChiKey (Click to copy)
MJEFMWGOVVCQIK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H54O/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(2)28/h3-26H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCC)(=O)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
Aromatic Rings
Rotatable Bonds
24
Van der Waals Molecular Volume
481.81
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
9.96
Molar Refractivity
127.16
Admin
Created at
1st Jul 2021
Updated at
1st Jul 2021