ChemSpider 2D Image | (1R,4aS,7R,8aR)-7-Ethynyl-1,4a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone | C14H18O

(1R,4aS,7R,8aR)-7-Ethynyl-1,4a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone

  • Molecular FormulaC14H18O
  • Average mass202.292 Da
  • Monoisotopic mass202.135757 Da
  • ChemSpider ID68024776

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,4aS,7R,8aR)-7-Ethinyl-1,4a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalinon [German] [ACD/IUPAC Name]
(1R,4aS,7R,8aR)-7-Éthynyl-1,4a-diméthyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphtalénone [French] [ACD/IUPAC Name]
(1R,4aS,7R,8aR)-7-Ethynyl-1,4a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone [ACD/IUPAC Name]
2(1H)-Naphthalenone, 7-ethynyl-4a,5,6,7,8,8a-hexahydro-1,4a-dimethyl-, (1R,4aS,7R,8aR)- [ACD/Index Name]
(1R,8aβ)-7β-Ethynyl-4a,5,6,7,8,8a-hexahydro-1,4aβ-dimethylnaphthalen-2(1H)-one
10208-55-6 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 288.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 117.8±19.5 °C
Index of Refraction: 1.518
Molar Refractivity: 60.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.54
ACD/KOC (pH 5.5): 1049.04
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 116.54
ACD/KOC (pH 7.4): 1049.04
Polar Surface Area: 17 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 37.5±5.0 dyne/cm
Molar Volume: 199.7±5.0 cm3

Click to predict properties on the Chemicalize site


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