ChemSpider 2D Image | (3aR,4R,5S)-5-[(2R)-4-(3,3-Dimethyl-2-oxiranyl)-2-butanyl]-3,8-dimethyl-1,3a,4,5,6,7-hexahydro-4-azulenol | C20H32O2

(3aR,4R,5S)-5-[(2R)-4-(3,3-Dimethyl-2-oxiranyl)-2-butanyl]-3,8-dimethyl-1,3a,4,5,6,7-hexahydro-4-azulenol

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID35518523

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aR,4R,5S)-5-[(2R)-4-(3,3-Dimethyl-2-oxiranyl)-2-butanyl]-3,8-dimethyl-1,3a,4,5,6,7-hexahydro-4-azulenol [German] [ACD/IUPAC Name]
(3aR,4R,5S)-5-[(2R)-4-(3,3-Dimethyl-2-oxiranyl)-2-butanyl]-3,8-dimethyl-1,3a,4,5,6,7-hexahydro-4-azulenol [ACD/IUPAC Name]
(3aR,4R,5S)-5-[(2R)-4-(3,3-Diméthyl-2-oxiranyl)-2-butanyl]-3,8-diméthyl-1,3a,4,5,6,7-hexahydro-4-azulénol [French] [ACD/IUPAC Name]
4-Azulenol, 5-[(1R)-3-(3,3-dimethyloxiranyl)-1-methylpropyl]-1,3a,4,5,6,7-hexahydro-3,8-dimethyl-, (3aR,4R,5S)- [ACD/Index Name]
acutilol A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 413.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±6.0 kJ/mol
Flash Point: 167.3±18.8 °C
Index of Refraction: 1.529
Molar Refractivity: 90.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2009.00
ACD/KOC (pH 5.5): 8051.37
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2009.00
ACD/KOC (pH 7.4): 8051.37
Polar Surface Area: 33 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 294.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement