ChemSpider 2D Image | (1'R,3R,3aS,5'S,6R,7R,7aR)-3,5',6-Trimethyltetrahydro-4H-spiro[1-benzofuran-7,2'-[6]oxabicyclo[3.1.0]hexan]-2(3H)-one | C15H22O3

(1'R,3R,3aS,5'S,6R,7R,7aR)-3,5',6-Trimethyltetrahydro-4H-spiro[1-benzofuran-7,2'-[6]oxabicyclo[3.1.0]hexan]-2(3H)-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID78442334

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1'R,3R,3aS,5'S,6R,7R,7aR)-3,5',6-Trimethyltetrahydro-4H-spiro[1-benzofuran-7,2'-[6]oxabicyclo[3.1.0]hexan]-2(3H)-one [ACD/IUPAC Name]
Spiro[benzofuran-7(4H),2'-[6]oxabicyclo[3.1.0]hexan]-2(3H)-one, tetrahydro-3,5',6-trimethyl-, (1'R,3R,3aS,5'S,6R,7R,7aR)- [ACD/Index Name]
Tramspiroin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 387.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 163.0±17.8 °C
Index of Refraction: 1.536
Molar Refractivity: 66.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.60
ACD/KOC (pH 5.5): 344.60
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.60
ACD/KOC (pH 7.4): 344.60
Polar Surface Area: 39 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 214.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement