Structure Database (LMSD)
Common Name
Dihydromenaquinone-9
Systematic Name
2-methyl-3-((2E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,10,14,18,22,26,30,34-octaenyl)naphthalene-1,4-dione
Synonyms
- MK-9(H2)
3D model of Dihydromenaquinone-9
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
String Representations
InChiKey (Click to copy)
SJOKRFJLUXNKIK-ISIUCFNPSA-N
InChi (Click to copy)
InChI=1S/C56H82O2/c1-42(2)22-14-23-43(3)24-15-25-44(4)26-16-27-45(5)28-17-29-46(6)30-18-31-47(7)32-19-33-48(8)34-20-35-49(9)36-21-37-50(10)40-41-52-51(11)55(57)53-38-12-13-39-54(53)56(52)58/h12-13,22,24,26,28,30,32,34,38-40,49H,14-21,23,25,27,29,31,33,35-37,41H2,1-11H3/b43-24+,44-26+,45-28+,46-30+,47-32+,48-34+,50-40+
SMILES (Click to copy)
C1(C/C=C(\C)/CCCC(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C2=C(C=CC=C2)C(=O)C=1C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
58
Rings
2
Aromatic Rings
1
Rotatable Bonds
27
Van der Waals Molecular Volume
922.36
Topological Polar Surface Area
34.14
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
17.63
Molar Refractivity
255.80
Admin
Created at
-
Updated at
11th Apr 2022