Structure Database (LMSD)
Common Name
2-Tritriacontanone
Systematic Name
Tritriacontane-2-one
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 2-Tritriacontanone
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)
NJPSQBXYMKTWBI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C33H66O/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(2)34/h3-32H2,1-2H3
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
Aromatic Rings
Rotatable Bonds
30
Van der Waals Molecular Volume
585.61
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
12.30
Molar Refractivity
154.86
Admin
Created at
1st Jul 2021
Updated at
1st Jul 2021