Structure Database (LMSD)
Common Name
alpha-tocotrienol
Systematic Name
2R,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol
Synonyms
- alpha-tocotrienol
- zeta1-tocopherol
3D model of alpha-tocotrienol
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)
RZFHLOLGZPDCHJ-XZXLULOTSA-N
InChi (Click to copy)
InChI=1S/C29H44O2/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/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1
SMILES (Click to copy)
CC1C(=C(C(=C2O[C@@](C)(CCC=12)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)C)C)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
2
Aromatic Rings
1
Rotatable Bonds
9
Van der Waals Molecular Volume
476.38
Topological Polar Surface Area
31.53
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
8.89
Molar Refractivity
134.83
Admin
Created at
-
Updated at
-