Structure Database (LMSD)
Common Name
33-methyl-26Z-tetratriaconten-34-olactone
Systematic Name
33-methyl-26Z-tetratriaconten-34-olide
Synonyms
3D model of 33-methyl-26Z-tetratriaconten-34-olactone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
PFRPQXROIBOAKQ-VZCXRCSSSA-N
InChi (Click to copy)
InChI=1S/C35H66O2/c1-34-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(36)37-33-34/h19,21,34H,2-18,20,22-33H2,1H3/b21-19-
SMILES (Click to copy)
C1(=O)OCC(C)CCCCCC=CCCCCCCCCCCCCCCCCCCCCCCCC1
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
1
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
614.00
Topological Polar Surface Area
28.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
12.33
Molar Refractivity
163.65
Admin
Created at
8th May 2020
Updated at
8th May 2020