chempirical

α-Tocopherol

C29H50O2CAS 59-02-9430.72 g/mol

Open in Covalent MOL file
HOO
EtherPhenol

Properties

Molecular formula
C29H50O2
Molar mass
430.72 g/mol
Exact mass
430.3811 Da
Melting point
2–3 °C
Boiling point
210 °C (at 0.1 Torr)
logP
8.84Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
12
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
59-02-9
SMILES
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
InChIKey
GVJHHUAWPYXKBD-IEOSBIPESA-N
InChI
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

57 names · show all
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-
  • 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-
  • (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol
  • Almefrol
  • Denamone
  • Emipherol
  • Eprolin
  • Eprolin S
  • Epsilan
  • Esorb
  • Etavit
  • Phytogermin
  • Profecundin
  • Syntopherol
  • Tokopharm
  • 5,7,8-Trimethyltocol
  • Vascuals
  • Verrol
  • Viteolin
  • (All-R)-α-Tocopherol
  • Vitaplex E
  • Etamican
  • Vitayonon
  • Spavit E
  • Endo E
  • Evitaminum
  • Ilitia
  • (R,R,R)-α-Tocopherol
  • Vitamin eα
  • (+)-α-Tocopherol
  • D-α-Tocopherol
  • (2R,4′R,8′R)-α-Tocopherol
  • Covitol F 1000
  • Tenox GT 1
  • Rhenogran ronotec 50
  • E-Oil 1000
  • E 307
  • E 307 (Tocopherol)
  • Ronotec 2001
  • EMF 1490
  • α-D-Tocopherol
  • Covitol F 1000-2
  • NSC 20812
  • Irganox E 201
  • Cardi-E
  • Biopass E 20
  • E 5-87
  • NatAlc
  • Natur-E micelle
  • Covitol F 1300
  • Covitol IK 00069
  • α-Vitamin E
  • Covitol F 1370
  • Copherol F 1300C
  • Cadvion
  • 3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-(2R)-2H-1-benzopyran-6-ol
  • (R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol

Work with α-Tocopherol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dl-α-tocopherol acetate52225-20-467 % similar α-Tocopheryl acetate58-95-767 % similar [2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate7695-91-267 % similar γ-Tocopherol54-28-464 % similar Vitamin E succinate4345-03-363 % similar Tocofersolan9002-96-459 % similar Dl-α-tocopherol calcium succinate14638-18-757 % similar Tocopherol nicotinate16676-75-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dl-α-tocopherol10191-41-0 Dl-α-tocopherol2074-53-5

Elsewhere

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