ChemSpider 2D Image | (4R,7R,8E,10E,12S,12aR,14aR,18aS,18bR)-4,7,12,16-Tetramethyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphtho[1,2-g]oxacyclotetradecine-1,3,5(2H,4H)-trione | C25H32O4

(4R,7R,8E,10E,12S,12aR,14aR,18aS,18bR)-4,7,12,16-Tetramethyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphtho[1,2-g]oxacyclotetradecine-1,3,5(2H,4H)-trione

  • Molecular FormulaC25H32O4
  • Average mass396.519 Da
  • Monoisotopic mass396.230072 Da
  • ChemSpider ID107446023

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4R,7R,8E,10E,12S,12aR,14aR,18aS,18bR)-4,7,12,16-Tetramethyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphtho[1,2-g]oxacyclotetradecin-1,3,5(2H,4H)-trion [German] [ACD/IUPAC Name]
(4R,7R,8E,10E,12S,12aR,14aR,18aS,18bR)-4,7,12,16-Tetramethyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphtho[1,2-g]oxacyclotetradecine-1,3,5(2H,4H)-trione [ACD/IUPAC Name]
(4R,7R,8E,10E,12S,12aR,14aR,18aS,18bR)-4,7,12,16-Tétraméthyl-7,12,12a,14a,15,18,18a,18b-octahydro-1H-naphto[1,2-g]oxacyclotétradécine-1,3,5(2H,4H)-trione [French] [ACD/IUPAC Name]
1H-Naphth[1,2-g]oxacyclotetradecin-1,3,5(2H,4H)-trione, 7,12,12a,14a,15,18,18a,18b-octahydro-4,7,12,16-tetramethyl-, (4R,7R,8E,10E,12S,12aR,14aR,18aS,18bR)- [ACD/Index Name]
1452849-94-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 587.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 253.1±30.2 °C
Index of Refraction: 1.496
Molar Refractivity: 112.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2523.36
ACD/KOC (pH 5.5): 9468.36
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 1955.66
ACD/KOC (pH 7.4): 7338.18
Polar Surface Area: 60 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 384.0±3.0 cm3

Click to predict properties on the Chemicalize site


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