Kavain
Properties
- Molecular formula
- C14H14O3
- Molar mass
- 230.26 g/mol
- Exact mass
- 230.0943 Da
- Melting point
- 105.5 °C
- Boiling point
- 196 °C
- logP
- 2.55Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
- Stereocentres
- Rin SMILES atom order
- Double bonds
- EE/Z, in SMILES order
Identifiers
CAS number
500-64-1SMILES
COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1InChIKey
XEAQIWGXBXCYFX-GUOLPTJISA-NInChI
InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-, (6R)-
- 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (R)-
- 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-
- (6R)-5,6-Dihydro-4-methoxy-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one
- Gonosan
- Kawain
- (+)-Kavain
- d-Kawain
- NSC 112162
- (R)-(+)-Kavain
- (+)-Kawain
Work with Kavain
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
Methysticin495-85-266 % similar
Dihydrokavain587-63-356 % similar
Methyl cinnamate103-26-449 % similar
Isopropyl cinnamate7780-06-543 % similar
Isobutyl cinnamate122-67-840 % similar
Ethyl cinnamate103-36-640 % similar
Phenethyl cinnamate103-53-739 % similar
Isoamyl cinnamate7779-65-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds