Found 2 results

Search term: FGJRTTUKXMZVKP (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1aS,3S,9aR)-1,1-Dichloro-4,6,6,9a-tetramethyl-2,3,5a,6,7,8,9,9a-octahydro-1H-benzo[a]cyclopropa[b][7]annulen-3-ol | C16H24Cl2O

(1aS,3S,9aR)-1,1-Dichloro-4,6,6,9a-tetramethyl-2,3,5a,6,7,8,9,9a-octahydro-1H-benzo[a]cyclopropa[b][7]annulen-3-ol

  • Molecular FormulaC16H24Cl2O
  • Average mass303.267 Da
  • Monoisotopic mass302.120422 Da
  • ChemSpider ID30650876

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1aS,3S,9aR)-1,1-Dichlor-4,6,6,9a-tetramethyl-2,3,5a,6,7,8,9,9a-octahydro-1H-benzo[a]cyclopropa[b][7]annulen-3-ol [German] [ACD/IUPAC Name]
(1aS,3S,9aR)-1,1-Dichloro-4,6,6,9a-tetramethyl-2,3,5a,6,7,8,9,9a-octahydro-1H-benzo[a]cyclopropa[b][7]annulen-3-ol [ACD/IUPAC Name]
(1aS,3S,9aR)-1,1-Dichloro-4,6,6,9a-tétraméthyl-2,3,5a,6,7,8,9,9a-octahydro-1H-benzo[a]cyclopropa[b][7]annulén-3-ol [French] [ACD/IUPAC Name]
1H-Benzo[a]cyclopropa[b]cyclohepten-3-ol, 1,1-dichloro-2,3,5a,6,7,8,9,9a-octahydro-4,6,6,9a-tetramethyl-, (1aS,3S,9aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 385.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.3±6.0 kJ/mol
Flash Point: 145.3±21.9 °C
Index of Refraction: 1.554
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3039.32
ACD/KOC (pH 5.5): 10828.45
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3039.32
ACD/KOC (pH 7.4): 10828.45
Polar Surface Area: 20 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 252.4±5.0 cm3

Click to predict properties on the Chemicalize site


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