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
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
Other Databases
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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Updated at
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