ChemSpider 2D Image | (4R,5Z,7S,10Z,13S)-7-Hydroxy-4-isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one | C20H30O3

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

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID57641935
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4R,5Z,7S,10Z,13S)-7-Hydroxy-4-isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-on [German] [ACD/IUPAC Name]
(4R,5Z,7S,10Z,13S)-7-Hydroxy-4-isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one [ACD/IUPAC Name]
(4R,5Z,7S,10Z,13S)-7-Hydroxy-4-isopropyl-7,11-diméthyl-14-oxabicyclo[11.2.1]hexadéca-1(16),5,10-trién-15-one [French] [ACD/IUPAC Name]
14-Oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one, 7-hydroxy-7,11-dimethyl-4-(1-methylethyl)-, (4R,5Z,7S,10Z,13S)- [ACD/Index Name]
(+)-(1R*,4S*,10R*)-4-Hydroxycembra-2E,7E,11Z-trien-20,10-olide
1242413-73-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 487.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 195.9±21.5 °C
Index of Refraction: 1.528
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1808.99
ACD/KOC (pH 5.5): 7469.14
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1808.99
ACD/KOC (pH 7.4): 7469.14
Polar Surface Area: 47 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 302.4±5.0 cm3

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