ChemSpider 2D Image | (3R,3aR,8bS)-3,3a,6,8b-Tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-3-yl hydroperoxide | C15H20O3

(3R,3aR,8bS)-3,3a,6,8b-Tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-3-yl hydroperoxide

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID44210934

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,3aR,8bS)-3,3a,6,8b-Tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-3-yl hydroperoxide [ACD/IUPAC Name]
(3R,3aR,8bS)-3,3a,6,8b-Tetramethyl-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-3-ylhydroperoxid [German] [ACD/IUPAC Name]
Hydroperoxide, (3R,3aR,8bS)-2,3,3a,8b-tetrahydro-3,3a,6,8b-tetramethyl-1H-benzo[b]cyclopenta[d]furan-3-yl [ACD/Index Name]
Hydroperoxyde de (3R,3aR,8bS)-3,3a,6,8b-tétraméthyl-2,3,3a,8b-tétrahydro-1H-benzo[b]cyclopenta[d]furan-3-yle [French] [ACD/IUPAC 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: 360.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 171.5±27.9 °C
Index of Refraction: 1.573
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 814.51
ACD/KOC (pH 5.5): 4219.10
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 814.49
ACD/KOC (pH 7.4): 4219.02
Polar Surface Area: 39 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 210.5±5.0 cm3

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