Structure Database (LMSD)
Common Name
3,4-Didehydro-1,2-dihydrolycopen-20-al
Systematic Name
3,4-Didehydro-1,2-dihydro-psi,psi-caroten-20-al
Synonyms
3D model of 3,4-Didehydro-1,2-dihydrolycopen-20-al
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
String Representations
InChiKey (Click to copy)
RVITUWWAPCDXAD-BUHXKAACSA-N
InChi (Click to copy)
InChI=1S/C40H54O/c1-33(2)18-12-21-36(6)24-15-27-38(8)26-14-23-35(5)20-10-11-30-40(32-41)31-17-29-39(9)28-16-25-37(7)22-13-19-34(3)4/h10-11,13-18,20,22-32,34H,12,19,21H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,31-17+,35-20+,36-24+,37-25+,38-26+,39-29+,40-30-
SMILES (Click to copy)
C(=C(/C)\C=C\CC(C)C)/C=C/C(/C)=C/C=C/C(/C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
Aromatic Rings
Rotatable Bonds
17
Van der Waals Molecular Volume
672.39
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
Hydrogen Bond Acceptors
1
logP
11.97
Molar Refractivity
185.89
Admin
Created at
17th Nov 2021
Updated at
25th Nov 2021