chempirical

Isophytol

C20H40OCAS 505-32-8296.54 g/mol

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OH
AlcoholAlkene

Properties

Molecular formula
C20H40O
Molar mass
296.54 g/mol
Exact mass
296.3079 Da
Density
0.8519 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
107–110 °C (at 0.01 Torr)
logP
6.36Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
13

Identifiers

CAS number
505-32-8
SMILES
C=CC(C)(O)CCCC(C)CCCC(C)CCCC(C)C
InChIKey
KEVYVLWNCKMXJX-UHFFFAOYSA-N
InChI
InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3

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

Names and synonyms

4 names
  • 1-Hexadecen-3-ol, 3,7,11,15-tetramethyl-
  • 3,7,11,15-Tetramethyl-1-hexadecen-3-ol
  • NSC 93744
  • Isovegetable alcohol

Work with Isophytol

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

3,7-Dimethyl-1-octanol106-21-847 % similar Pristane1921-70-647 % similar Squalane111-01-345 % similar 2,6-Dimethyl-2-heptanol13254-34-744 % similar 3,7-Dimethyl-1,7-octanediol107-74-443 % similar Sclareol515-03-741 % similar 3-Methyl-1-penten-3-ol918-85-441 % similar (-)-Linalool126-91-040 % similar

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

Same formula

Phytol150-86-7 3,7,11,15-Tetramethyl-2-hexadecen-1-ol7541-49-3 Octadecyl vinyl ether930-02-9

Elsewhere

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