ChemSpider 2D Image | (1aR,4R,7bS)-1,1,4,7-Tetramethyl-1,1a,2,3,4,4a,5,7b-octahydro-6H-cyclopropa[e]azulen-6-one | C15H22O

(1aR,4R,7bS)-1,1,4,7-Tetramethyl-1,1a,2,3,4,4a,5,7b-octahydro-6H-cyclopropa[e]azulen-6-one

  • Molecular FormulaC15H22O
  • Average mass218.335 Da
  • Monoisotopic mass218.167068 Da
  • ChemSpider ID30772487

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1aR,4R,7bS)-1,1,4,7-Tetramethyl-1,1a,2,3,4,4a,5,7b-octahydro-6H-cyclopropa[e]azulen-6-on [German] [ACD/IUPAC Name]
(1aR,4R,7bS)-1,1,4,7-Tetramethyl-1,1a,2,3,4,4a,5,7b-octahydro-6H-cyclopropa[e]azulen-6-one [ACD/IUPAC Name]
(1aR,4R,7bS)-1,1,4,7-Tétraméthyl-1,1a,2,3,4,4a,5,7b-octahydro-6H-cyclopropa[e]azulén-6-one [French] [ACD/IUPAC Name]
6H-Cycloprop[e]azulen-6-one, 1,1a,2,3,4,4a,5,7b-octahydro-1,1,4,7-tetramethyl-, (1aR,4R,7bS)- [ACD/Index Name]
Cyclocolorenone

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 313.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.4±3.0 kJ/mol
Flash Point: 138.2±9.6 °C
Index of Refraction: 1.522
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 760.37
ACD/KOC (pH 5.5): 4016.43
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 760.37
ACD/KOC (pH 7.4): 4016.43
Polar Surface Area: 17 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 34.6±5.0 dyne/cm
Molar Volume: 212.6±5.0 cm3

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