ChemSpider 2D Image | (-)-kawain | C14H14O3

(-)-kawain

  • Molecular FormulaC14H14O3
  • Average mass230.259 Da
  • Monoisotopic mass230.094299 Da
  • ChemSpider ID32698053
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(-)-kawain
(6S)-4-Methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-4-Methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-4-Méthoxy-6-[(E)-2-phénylvinyl]-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
188643-55-2 [RN]
2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-[(E)-2-phenylethenyl]-, (6S)- [ACD/Index Name]
(6S)-4-methoxy-6-[(E)-2-phenylethenyl]-5,6-dihydropyran-2-one
(6S)-4-methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydropyran-2-one
3155-48-4 [RN]
500-64-1 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6E3WP1S58E [DBID]
UNII:6E3WP1S58E [DBID]
UNII-6E3WP1S58E [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 184.6±23.3 °C
Index of Refraction: 1.565
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 82.03
ACD/KOC (pH 5.5): 815.90
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 82.03
ACD/KOC (pH 7.4): 815.90
Polar Surface Area: 36 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 199.4±5.0 cm3

Click to predict properties on the Chemicalize site






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