ChemSpider 2D Image | Spirosphaerol | C20H33BrO

Spirosphaerol

  • Molecular FormulaC20H33BrO
  • Average mass369.379 Da
  • Monoisotopic mass368.171478 Da
  • ChemSpider ID34947479

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,4a'S,5'S,8'R,8a'S)-5'-Brom-3-isopropyl-2,4a',8'-trimethyl-3',4',4a',5',6',7',8',8a'-octahydro-1'H-spiro[cyclopent-2-ene-1,2'-naphthalen]-8'-ol [German] [ACD/IUPAC Name]
(1R,4a'S,5'S,8'R,8a'S)-5'-Bromo-3-isopropyl-2,4a',8'-trimethyl-3',4',4a',5',6',7',8',8a'-octahydro-1'H-spiro[cyclopent-2-ene-1,2'-naphthalen]-8'-ol [ACD/IUPAC Name]
(1R,4a'S,5'S,8'R,8a'S)-5'-Bromo-3-isopropyl-2,4a',8'-triméthyl-3',4',4a',5',6',7',8',8a'-octahydro-1'H-spiro[cyclopent-2-ene-1,2'-naphthalen]-8'-ol [French] [ACD/IUPAC Name]
Spiro[cyclopent-2-ene-1,2'(1'H)-naphthalen]-8'-ol, 5'-bromo-3',4',4'a,5',6',7',8',8'a-octahydro-2,4'a,8'-trimethyl-3-(1-methylethyl)-, (1R,4a'S,5'S,8'R,8a'S)- [ACD/Index Name]
Spirosphaerol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±6.0 kJ/mol
Flash Point: 209.9±28.7 °C
Index of Refraction: 1.544
Molar Refractivity: 97.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 76955.65
ACD/KOC (pH 5.5): 109433.73
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 76955.65
ACD/KOC (pH 7.4): 109433.73
Polar Surface Area: 20 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 308.0±5.0 cm3

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