ChemSpider 2D Image | DEHYDRONOOTKATONE | C15H20O

DEHYDRONOOTKATONE

  • Molecular FormulaC15H20O
  • Average mass216.319 Da
  • Monoisotopic mass216.151413 Da
  • ChemSpider ID32701058
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4R,4aS,6S)-6-Isopropényl-4,4a-diméthyl-4,4a,5,6-tétrahydro-2(3H)-naphtalénone [French] [ACD/IUPAC Name]
(4R,4aS,6S)-6-Isopropenyl-4,4a-dimethyl-4,4a,5,6-tetrahydro-2(3H)-naphthalenone [ACD/IUPAC Name]
(4R,4aS,6S)-6-Isopropenyl-4,4a-dimethyl-4,4a,5,6-tetrahydro-2(3H)-naphthalinon [German] [ACD/IUPAC Name]
2(3H)-Naphthalenone, 4,4a,5,6-tetrahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6S)- [ACD/Index Name]
5090-63-1 [RN]
DEHYDRONOOTKATONE

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

T1450990SD [DBID]
UNII:T1450990SD [DBID]
UNII-T1450990SD [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 335.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 147.2±18.7 °C
Index of Refraction: 1.521
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 391.54
ACD/KOC (pH 5.5): 2497.54
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 391.54
ACD/KOC (pH 7.4): 2497.54
Polar Surface Area: 17 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 33.4±5.0 dyne/cm
Molar Volume: 218.8±5.0 cm3

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