ChemSpider 2D Image | (6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1-carbonitrile | C26H37NO

(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1-carbonitrile

  • Molecular FormulaC26H37NO
  • Average mass379.578 Da
  • Monoisotopic mass379.287506 Da
  • ChemSpider ID24651259

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-carbonitril [German] [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Trimethyl-3-(2-methyl-2-octanyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromene-1-carbonitrile [ACD/IUPAC Name]
(6aR,10aR)-6,6,9-Triméthyl-3-(2-méthyl-2-octanyl)-6a,7,8,10a-tétrahydro-6H-benzo[c]chromène-1-carbonitrile [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-carbonitrile, 3-(1,1-dimethylheptyl)-6a,7,8,10a-tetrahydro-6,6,9-trimethyl-, (6aR,10aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 462.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 192.6±22.6 °C
Index of Refraction: 1.538
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.37
ACD/LogD (pH 5.5): 9.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2325509.00
ACD/LogD (pH 7.4): 9.17
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2325509.00
Polar Surface Area: 33 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 372.6±5.0 cm3

Click to predict properties on the Chemicalize site


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