ChemSpider 2D Image | (3R,6S)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one | C10H16O2

(3R,6S)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID110429687

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3R,6S)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-on [German] [ACD/IUPAC Name]
(3R,6S)-3-Isopropyl-6-methyl-7-oxabicyclo[4.1.0]heptan-2-one [ACD/IUPAC Name]
(3R,6S)-3-Isopropyl-6-méthyl-7-oxabicyclo[4.1.0]heptan-2-one [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.1.0]heptan-2-one, 6-methyl-3-(1-methylethyl)-, (3R,6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 235.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 90.9±16.2 °C
Index of Refraction: 1.487
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.93
ACD/KOC (pH 5.5): 139.05
ACD/LogD (pH 7.4): 1.41
ACD/BCF (pH 7.4): 6.93
ACD/KOC (pH 7.4): 139.05
Polar Surface Area: 30 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 159.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement