ChemSpider 2D Image | (1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one | C10H16O

(1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC10H16O
  • Average mass152.233 Da
  • Monoisotopic mass152.120117 Da
  • ChemSpider ID23873984
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-on [German] [ACD/IUPAC Name]
(1S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1S,4R)-1,7,7-Triméthylbicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1S,4R)- [ACD/Index Name]
464-48-2 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 207.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.4±3.0 kJ/mol
Flash Point: 69.3±10.7 °C
Index of Refraction: 1.485
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 45.94
ACD/KOC (pH 5.5): 538.80
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 45.94
ACD/KOC (pH 7.4): 538.80
Polar Surface Area: 17 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 31.6±3.0 dyne/cm
Molar Volume: 154.9±3.0 cm3

Click to predict properties on the Chemicalize site






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