ChemSpider 2D Image | 1-[(2R,3S)-3-Isopropyl-1,1,2,6-tetramethyl-2,3-dihydro-1H-inden-5-yl]ethanone | C18H26O

1-[(2R,3S)-3-Isopropyl-1,1,2,6-tetramethyl-2,3-dihydro-1H-inden-5-yl]ethanone

  • Molecular FormulaC18H26O
  • Average mass258.398 Da
  • Monoisotopic mass258.198364 Da
  • ChemSpider ID62626262

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2R,3S)-3-Isopropyl-1,1,2,6-tetramethyl-2,3-dihydro-1H-inden-5-yl]ethanon [German] [ACD/IUPAC Name]
1-[(2R,3S)-3-Isopropyl-1,1,2,6-tetramethyl-2,3-dihydro-1H-inden-5-yl]ethanone [ACD/IUPAC Name]
1-[(2R,3S)-3-Isopropyl-1,1,2,6-tétraméthyl-2,3-dihydro-1H-indén-5-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(2R,3S)-2,3-dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 350.0±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 146.3±19.8 °C
Index of Refraction: 1.498
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9903.80
ACD/KOC (pH 5.5): 25222.29
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9903.80
ACD/KOC (pH 7.4): 25222.29
Polar Surface Area: 17 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 29.4±3.0 dyne/cm
Molar Volume: 276.8±3.0 cm3

Click to predict properties on the Chemicalize site


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