ChemSpider 2D Image | (3R,11E)-16-Hydroxy-3-methyl-14-(2-naphthylmethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C29H30O5

(3R,11E)-16-Hydroxy-3-methyl-14-(2-naphthylmethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC29H30O5
  • Average mass458.546 Da
  • Monoisotopic mass458.209320 Da
  • ChemSpider ID71292382

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R,11E)-16-Hydroxy-3-methyl-14-(2-naphthylmethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
(3R,11E)-16-Hydroxy-3-methyl-14-(2-naphthylmethoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
(3R,11E)-16-Hydroxy-3-méthyl-14-(2-naphtylméthoxy)-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-16-hydroxy-3-methyl-14-(2-naphthalenylmethoxy)-, (3R,11E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 239.3±26.4 °C
Index of Refraction: 1.589
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.88
ACD/LogD (pH 5.5): 6.22
ACD/BCF (pH 5.5): 31421.28
ACD/KOC (pH 5.5): 57411.12
ACD/LogD (pH 7.4): 5.91
ACD/BCF (pH 7.4): 15159.16
ACD/KOC (pH 7.4): 27697.92
Polar Surface Area: 73 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 392.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement