ChemSpider 2D Image | (2S)-5,7-Dihydroxy-2-isopropenyl-9-methyl-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one | C15H18O3

(2S)-5,7-Dihydroxy-2-isopropenyl-9-methyl-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID26328055

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5,7-Dihydroxy-2-isopropenyl-9-methyl-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-on [German] [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-2-isopropenyl-9-methyl-1,2,3,4-tetrahydro-6H-benzo[7]annulen-6-one [ACD/IUPAC Name]
(2S)-5,7-Dihydroxy-2-isopropényl-9-méthyl-1,2,3,4-tétrahydro-6H-benzo[7]annulén-6-one [French] [ACD/IUPAC Name]
(2s)-5,7-Dihydroxy-9-Methyl-2-(Prop-1-En-2-Yl)-1,2,3,4-Tetrahydro-6h-Benzo[7]annulen-6-One
6H-Benzocyclohepten-6-one, 1,2,3,4-tetrahydro-5,7-dihydroxy-9-methyl-2-(1-methylethenyl)-, (2S)- [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: 499.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 269.7±25.2 °C
Index of Refraction: 1.583
Molar Refractivity: 68.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 60.05
ACD/KOC (pH 5.5): 652.25
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 50.99
ACD/KOC (pH 7.4): 553.80
Polar Surface Area: 58 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 205.5±5.0 cm3

Click to predict properties on the Chemicalize site


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