Structure Database (LMSD)
Common Name
Retinol Acetate/All-trans-retinyl Acetate
Systematic Name
Retinyl acetate
Synonyms
3D model of Retinol Acetate/All-trans-retinyl Acetate
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)
QGNJRVVDBSJHIZ-QHLGVNSISA-N
InChi (Click to copy)
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
SMILES (Click to copy)
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)=C(C)CC1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
1
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
378.54
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
6.37
Molar Refractivity
103.25
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Created at
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Updated at
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