chempirical

Falcarinol

C17H24OCAS 21852-80-2244.38 g/mol

Open in Covalent MOL file
OH
AlcoholAlkeneAlkyne

Properties

Molecular formula
C17H24O
Molar mass
244.38 g/mol
Exact mass
244.1827 Da
Boiling point
115 °C (at 0.02 Torr)
logP
3.85Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
8
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
21852-80-2
SMILES
C=C[C@@H](O)C#CC#CC/C=CCCCCCCC
InChIKey
UGJAEDFOKNAMQD-QXPKXGMISA-N
InChI
InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • 1,9-Heptadecadiene-4,6-diyn-3-ol, (3R,9Z)-
  • 1,9-Heptadecadiene-4,6-diyn-3-ol, (Z)-(-)-
  • 1,9-Heptadecadiene-4,6-diyn-3-ol, [R-(Z)]-
  • Panaxynol
  • (3R,9Z)-1,9-Heptadecadiene-4,6-diyn-3-ol
  • Carotatoxin
  • (-)-Panaxynol
  • (R)-(-)-Falcarinol
  • (-)-Falcarinol
  • (Cis)-(-)-3-Hydroxy-1,9-heptadecadien-4,6-diyne
  • (Z)-Falcarinol

Work with Falcarinol

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

Falcarindiol55297-87-573 % similar 1-Nonen-3-ol21964-44-342 % similar (Z)-9-Tricosene27519-02-441 % similar 1-Octen-3-ol3391-86-440 % similar Oleyl alcohol143-28-238 % similar trans-2-Nonen-1-ol31502-14-438 % similar (±)-1-Hepten-3-ol4938-52-737 % similar Polyethylene glycol monooleyl ether9004-98-236 % similar

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

Same formula

Celestolide13171-00-1

Elsewhere

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