Phytol

C₂₀H₄₀OCAS 150-86-7296.54 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₄₀O
Molar mass: 296.54 g/mol
Exact mass: 296.3079 Da
Density: 0.864 g/mL (at 0 °C)
Melting point: below 25 °C
Boiling point: 203.5 °C
logP: 6.36Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 13
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

150-86-7

SMILES

C/C(=CCO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

InChIKey

BOTWFXYSPFMFNR-PYDDKJGSSA-N

InChI

InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1

Weigh it out

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

Names and synonyms

9 names

2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, (2E,7R,11R)-
2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]-
(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol
3,7,11,15-Tetramethylhexadec-2-en-1-ol
trans-Phytol
(E)-Phytol
(7R,11R,2E)-Phytol
(E,R,R)-Phytol
(7R,11R,E)-3,7,11,15-Tetramethylhexadec-2-en-1-ol

Work with Phytol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,7-Dimethyl-1-octanol106-21-849 % similar Pristane1921-70-648 % similar Vitamin K12001-79-547 % similar Phylloquinone84-80-047 % similar Squalane111-01-347 % similar Geraniol106-24-142 % similar Nerol106-25-242 % similar trans-Farnesol106-28-541 % similar

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

Same formula

Isophytol505-32-8 3,7,11,15-Tetramethyl-2-hexadecen-1-ol7541-49-3 Octadecyl vinyl ether930-02-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia