ChemSpider 2D Image | (4R,5Z,7Z,10Z,13S)-4-Isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one | C20H28O2

(4R,5Z,7Z,10Z,13S)-4-Isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID57641934
  • 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

(4R,5Z,7Z,10Z,13S)-4-Isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-on [German] [ACD/IUPAC Name]
(4R,5Z,7Z,10Z,13S)-4-Isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one [ACD/IUPAC Name]
(4R,5Z,7Z,10Z,13S)-4-Isopropyl-7,11-diméthyl-14-oxabicyclo[11.2.1]hexadéca-1(16),5,7,10-tétraén-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),5,7,10-tetraen-15-one, 7,11-dimethyl-4-(1-methylethyl)-, (4R,5Z,7Z,10Z,13S)- [ACD/Index Name]
(+)-(1R*,10R*)-Cembra-2E,4E,7E,11Z-tetraen-20,10-olide
1242413-72-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 459.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.0±3.0 kJ/mol
Flash Point: 194.5±26.1 °C
Index of Refraction: 1.525
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7910.68
ACD/KOC (pH 5.5): 21474.92
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7910.68
ACD/KOC (pH 7.4): 21474.92
Polar Surface Area: 26 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 36.3±5.0 dyne/cm
Molar Volume: 297.8±5.0 cm3

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