Structure Database (LMSD)
Common Name
Rhodovibrin
Systematic Name
1'-Methoxy-3',4'-didehydro-1,2,1',2'-tetrahydro-psi,psi-carotene-1-ol
Synonyms
3D model of Rhodovibrin
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)
CGEVWQFVGBQXOA-WQMGISBJSA-N
InChi (Click to copy)
InChI=1S/C41H60O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-17,19-29,31,42H,18,30,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
SMILES (Click to copy)
CC(C)(O)CCC/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(OC)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
0
Aromatic Rings
0
Rotatable Bonds
18
Van der Waals Molecular Volume
703.76
Topological Polar Surface Area
29.46
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
12.33
Molar Refractivity
194.26
Admin
Created at
-
Updated at
22nd Mar 2024