ChemSpider 2D Image | (4E,6Z,8R,10Z,13S)-4-Isopropyl-8-methoxy-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one | C21H30O3

(4E,6Z,8R,10Z,13S)-4-Isopropyl-8-methoxy-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID57641899
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4E,6Z,8R,10Z,13S)-4-Isopropyl-8-methoxy-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-on [German] [ACD/IUPAC Name]
(4E,6Z,8R,10Z,13S)-4-Isopropyl-8-methoxy-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one [ACD/IUPAC Name]
(4E,6Z,8R,10Z,13S)-4-Isopropyl-8-méthoxy-7,11-diméthyl-14-oxabicyclo[11.2.1]hexadéca-1(16),4,6,10-tétraén-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one, 8-methoxy-7,11-dimethyl-4-(1-methylethyl)-, (4E,6Z,8R,10Z,13S)- [ACD/Index Name]
(+)-(5R*,10R*)-5-Methoxycembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
1346224-16-5 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 495.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 214.2±23.3 °C
Index of Refraction: 1.521
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3133.71
ACD/KOC (pH 5.5): 11068.11
ACD/LogD (pH 7.4): 4.90
ACD/BCF (pH 7.4): 3133.71
ACD/KOC (pH 7.4): 11068.11
Polar Surface Area: 36 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 36.7±5.0 dyne/cm
Molar Volume: 319.9±5.0 cm3

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