Structure Database (LMSD)
Common Name
(11Z)-8,18-methano-retinal
Systematic Name
Synonyms
3D model of (11Z)-8,18-methano-retinal
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Retinoids and related compounds. Part 26.1 Synthesis of (11Z)-8,18-propano- and methano-retinals and conformational study of the rhodopsin chromophore,
J. Chem. Soc., Perkin Trans, 2001
J. Chem. Soc., Perkin Trans, 2001
DOI:
10.1039/B104394N
String Representations
InChiKey (Click to copy)
UXYMBRVBEUJGTO-VXKSIPEOSA-N
InChi (Click to copy)
InChI=1S/C21H28O/c1-16(12-14-22)7-5-8-17(2)19-11-10-18-9-6-13-21(3,4)20(18)15-19/h5,7-8,12,14-15H,6,9-11,13H2,1-4H3/b7-5-,16-12+,17-8+
SMILES (Click to copy)
C1C(C)(C)C2C=C(CCC=2CC1)/C(=C/C=C\C(\C)=C\C=O)/C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
2
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
340.09
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.86
Molar Refractivity
94.69
Admin
Created at
-
Updated at
30th Jun 2021