ChemSpider 2D Image | (1S)-7-Hydroxy-4-isopropyl-1-methoxy-1,6-dimethyl-2(1H)-naphthalenone | C16H20O3

(1S)-7-Hydroxy-4-isopropyl-1-methoxy-1,6-dimethyl-2(1H)-naphthalenone

  • Molecular FormulaC16H20O3
  • Average mass260.328 Da
  • Monoisotopic mass260.141235 Da
  • ChemSpider ID29784796

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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(1S)-7-Hydroxy-4-isopropyl-1-méthoxy-1,6-diméthyl-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(1S)-7-Hydroxy-4-isopropyl-1-methoxy-1,6-dimethyl-2(1H)-naphthalenone [ACD/IUPAC Name]
(1S)-7-Hydroxy-4-isopropyl-1-methoxy-1,6-dimethyl-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
2(1H)-Naphthalenone, 7-hydroxy-1-methoxy-1,6-dimethyl-4-(1-methylethyl)-, (1S)- [ACD/Index Name]
(1S)-1-methoxylacinilene C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 392.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 140.9±21.4 °C
Index of Refraction: 1.560
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 283.86
ACD/KOC (pH 5.5): 1983.99
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 283.05
ACD/KOC (pH 7.4): 1978.29
Polar Surface Area: 47 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 228.9±5.0 cm3

Click to predict properties on the Chemicalize site


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