Structure Database (LMSD)
Common Name
11-cis-3,4-didehydroretinol
Systematic Name
11Z-3,4-didehydro-retinol
Synonyms
3D model of 11-cis-3,4-didehydroretinol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
XWCYDHJOKKGVHC-IOUUIBBYSA-N
InChi (Click to copy)
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6-,12-11+,16-8+,17-13+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C\C(\C)=C\CO)/C)=C(C)C=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
1
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
335.15
Topological Polar Surface Area
20.23
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
1
logP
5.57
Molar Refractivity
93.61
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Created at
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Updated at
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