ChemSpider 2D Image | (1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.0~2,7~]pentadec-12-en-9-yl acetate | C22H34O3

(1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-yl acetate

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID29212318

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-9,13-dimethyl-3-methylen-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-yl-acetat [German] [ACD/IUPAC Name]
(1R,2R,6R,7R,8R,9R,12E)-6-Isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.02,7]pentadec-12-en-9-yl acetate [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecen-6-ol, 1,2,3,4,4a,5,6,7,8,11,12,12a-dodecahydro-6,10-dimethyl-1-methylene-4-(1-methylethyl)-, acetate, (4R,4aR,5R,6R,9E,12R,12aR)- [ACD/Index Name]
Acétate de (1R,2R,6R,7R,8R,9R,12E)-6-isopropyl-9,13-diméthyl-3-méthylène-15-oxatricyclo[6.6.1.02,7]pentadéc-12-én-9-yle [French] [ACD/IUPAC Name]
cladiellin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 420.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 178.8±23.3 °C
Index of Refraction: 1.511
Molar Refractivity: 100.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.33
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 35096.65
ACD/KOC (pH 5.5): 62385.69
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 35096.65
ACD/KOC (pH 7.4): 62385.69
Polar Surface Area: 36 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 36.2±5.0 dyne/cm
Molar Volume: 335.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement