ChemSpider 2D Image | (1R,5R,8S,12S)-Pentacyclo[10.2.1.1~5,8~.0~2,11~.0~4,9~]hexadeca-6,13-diene-3,10-dione | C16H16O2

(1R,5R,8S,12S)-Pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione

  • Molecular FormulaC16H16O2
  • Average mass240.297 Da
  • Monoisotopic mass240.115036 Da
  • ChemSpider ID74114003

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(1R,5R,8S,12S)-Pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-dien-3,10-dion [German] [ACD/IUPAC Name]
(1R,5R,8S,12S)-Pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione [ACD/IUPAC Name]
(1R,5R,8S,12S)-Pentacyclo[10.2.1.15,8.02,11.04,9]hexadéca-6,13-diène-3,10-dione [French] [ACD/IUPAC Name]
1,4:5,8-Dimethanoanthracene-9,10-dione, 1,4,4a,5,8,8a,9a,10a-octahydro-, (1R,4S,5S,8R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 413.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 154.7±25.7 °C
Index of Refraction: 1.615
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.10
ACD/KOC (pH 5.5): 242.94
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.10
ACD/KOC (pH 7.4): 242.94
Polar Surface Area: 34 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 187.5±3.0 cm3

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