Structure Database (LMSD)
Common Name
alpha-tocopherol
Systematic Name
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol
Synonyms
- Vitamin E
3D model of alpha-tocopherol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GVJHHUAWPYXKBD-IEOSBIPESA-N
InChi (Click to copy)
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
SMILES (Click to copy)
C1(C)=C(C)C2O[C@@](CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C)(C)CCC=2C(C)=C1O
References
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
2
Aromatic Rings
1
Rotatable Bonds
12
Van der Waals Molecular Volume
484.30
Topological Polar Surface Area
31.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
9.13
Molar Refractivity
134.90
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Created at
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Updated at
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