chempirical

Falcarindiol

C17H24O2CAS 55297-87-5260.38 g/mol

Open in Covalent MOL file
OHOH
AlcoholAlkeneAlkyne

Properties

Molecular formula
C17H24O2
Molar mass
260.38 g/mol
Exact mass
260.1776 Da
logP
2.82Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
8
Stereocentres
S, Sin 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
55297-87-5
SMILES
C=C[C@H](O)C#CC#C[C@@H](O)/C=CCCCCCCC
InChIKey
QWCNQXNAFCBLLV-RCQSYPNMSA-N
InChI
InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 1,9-Heptadecadiene-4,6-diyne-3,8-diol, (3S,8S,9Z)-
  • 1,9-Heptadecadiene-4,6-diyne-3,8-diol, [S-[R*,R*-(Z)]]-
  • (3S,8S,9Z)-1,9-Heptadecadiene-4,6-diyne-3,8-diol
  • (+)-Falcarindiol
  • (3S,8S)-Falcarindiol

Work with Falcarindiol

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

Falcarinol21852-80-273 % similar 1-Nonen-3-ol21964-44-345 % similar 1-Octen-3-ol3391-86-443 % similar Sphingosine123-78-440 % similar (Z)-9-Tricosene27519-02-440 % similar (±)-1-Hepten-3-ol4938-52-740 % similar Dimethylsphingosine119567-63-439 % similar Oleyl alcohol143-28-238 % similar

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

Same formula

4-(trans-4-Butylcyclohexyl)benzoic acid83626-35-1

Elsewhere

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