ChemSpider 2D Image | (3R,4aR,6aS,10aS)-3-Ethyl-5,10b-dimethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-1H-benzo[h]isochromen-1-one | C17H26O2

(3R,4aR,6aS,10aS)-3-Ethyl-5,10b-dimethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-1H-benzo[h]isochromen-1-one

  • Molecular FormulaC17H26O2
  • Average mass262.387 Da
  • Monoisotopic mass262.193268 Da
  • ChemSpider ID58816047

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4aR,6aS,10aS)-3-Ethyl-5,10b-dimethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-1H-benzo[h]isochromen-1-on [German] [ACD/IUPAC Name]
(3R,4aR,6aS,10aS)-3-Ethyl-5,10b-dimethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-1H-benzo[h]isochromen-1-one [ACD/IUPAC Name]
(3R,4aR,6aS,10aS)-3-Éthyl-5,10b-diméthyl-3,4,4a,6a,7,8,9,10,10a,10b-décahydro-1H-benzo[h]isochromén-1-one [French] [ACD/IUPAC Name]
1H-Naphtho[1,2-c]pyran-1-one, 3-ethyl-3,4,4a,6a,7,8,9,10,10a,10b-decahydro-5,10b-dimethyl-, (3R,4aR,6aS,10aS)- [ACD/Index Name]
(3R,4AR,6AS,10AS,10BR)-3-ETHYL-5,10B-DIMETHYL-1H,3H,4H,4AH,6AH,7H,8H,9H,10H,10AH,10BH-NAPHTHO[1,2-C]PYRAN-1-ONE
(3R,4AR,6AS,10AS,10BR)-3-ETHYL-5,10B-DIMETHYL-3H,4H,4AH,6AH,7H,8H,9H,10H,10AH-NAPHTHO[1,2-C]PYRAN-1-ONE
143605-57-6 [RN]

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

PI 200 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 384.6±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 161.6±25.0 °C
Index of Refraction: 1.493
Molar Refractivity: 76.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2185.56
ACD/KOC (pH 5.5): 8551.77
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2185.56
ACD/KOC (pH 7.4): 8551.77
Polar Surface Area: 26 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 261.5±3.0 cm3

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