ChemSpider 2D Image | (1R,4S,13R)-1,5,5-Trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.0~4,13~.0~7,12~]pentadeca-7,9,11-triene | C21H30O2

(1R,4S,13R)-1,5,5-Trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-triene

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID58828773
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,4S,13R)-1,5,5-Trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-trien [German] [ACD/IUPAC Name]
(1R,4S,13R)-1,5,5-Trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7,9,11-triene [ACD/IUPAC Name]
(1R,4S,13R)-1,5,5-Triméthyl-9-pentyl-6,15-dioxatétracyclo[9.3.1.04,13.07,12]pentadéca-7,9,11-triène [French] [ACD/IUPAC Name]
1,9-Epoxy-6H-dibenzo[b,d]pyran, 6a,7,8,9,10,10a-hexahydro-6,6,9-trimethyl-3-pentyl-, (6aS,9R,10aR)- [ACD/Index Name]
Cannabicitran
citrilidene-cannabis

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

Density: 1.0±0.1 g/cm3
Boiling Point: 389.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 193.2±18.3 °C
Index of Refraction: 1.533
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 220167.59
ACD/KOC (pH 5.5): 232229.91
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 220167.59
ACD/KOC (pH 7.4): 232229.91
Polar Surface Area: 18 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 302.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement