ChemSpider 2D Image | (4S,4aS)-6-Isopropylidene-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone | C15H22O

(4S,4aS)-6-Isopropylidene-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone

  • Molecular FormulaC15H22O
  • Average mass218.335 Da
  • Monoisotopic mass218.167068 Da
  • ChemSpider ID64872674

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S,4aS)-6-Isopropyliden-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalinon [German] [ACD/IUPAC Name]
(4S,4aS)-6-Isopropylidène-4,4a-diméthyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphtalénone [French] [ACD/IUPAC Name]
(4S,4aS)-6-Isopropylidene-4,4a-dimethyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone [ACD/IUPAC Name]
2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4S,4aS)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 331.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.4±3.0 kJ/mol
Flash Point: 147.1±18.7 °C
Index of Refraction: 1.510
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1166.18
ACD/KOC (pH 5.5): 5454.93
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1166.18
ACD/KOC (pH 7.4): 5454.93
Polar Surface Area: 17 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 33.3±5.0 dyne/cm
Molar Volume: 222.8±5.0 cm3

Click to predict properties on the Chemicalize site


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