ChemSpider 2D Image | DIHYDRONOOTKATONE | C15H24O

DIHYDRONOOTKATONE

  • Molecular FormulaC15H24O
  • Average mass220.350 Da
  • Monoisotopic mass220.182709 Da
  • ChemSpider ID23350277

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,4aS,6R,8aS)-4,4a-Dimethyl-6-(prop-1-en-2-yl)octahydronaphthalen-2(1H)-one
(4R,4aS,6R,8aS)-6-Isopropényl-4,4a-diméthyloctahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(4R,4aS,6R,8aS)-6-Isopropenyl-4,4a-dimethyloctahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
(4R,4aS,6R,8aS)-6-Isopropenyl-4,4a-dimethyloctahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
1,10-dihydronootkatone
2(1H)-Naphthalenone, octahydro-4,4a-dimethyl-6-(1-methylethenyl)-, (4R,4aS,6R,8aS)- [ACD/Index Name]
20489-53-6 [RN]
DIHYDRONOOTKATONE

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

V06626C1NF [DBID]
UNII:V06626C1NF [DBID]
UNII-V06626C1NF [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 299.7±39.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 122.1±22.0 °C
Index of Refraction: 1.482
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 523.05
ACD/KOC (pH 5.5): 3072.80
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 523.05
ACD/KOC (pH 7.4): 3072.80
Polar Surface Area: 17 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 235.2±3.0 cm3

Click to predict properties on the Chemicalize site


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