ChemSpider 2D Image | (1S,2S,4R,6R)-4,5,5-Trimethyltricyclo[2.2.1.0~2,6~]heptan-3-one | C10H14O

(1S,2S,4R,6R)-4,5,5-Trimethyltricyclo[2.2.1.02,6]heptan-3-one

  • Molecular FormulaC10H14O
  • Average mass150.218 Da
  • Monoisotopic mass150.104462 Da
  • ChemSpider ID61442047

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,4R,6R)-4,5,5-Trimethyltricyclo[2.2.1.02,6]heptan-3-on [German] [ACD/IUPAC Name]
(1S,2S,4R,6R)-4,5,5-Trimethyltricyclo[2.2.1.02,6]heptan-3-one [ACD/IUPAC Name]
(1S,2S,4R,6R)-4,5,5-Triméthyltricyclo[2.2.1.02,6]heptan-3-one [French] [ACD/IUPAC Name]
Tricyclo[2.2.1.02,6]heptan-3-one, 4,5,5-trimethyl-, (1S,2S,4R,6R)- [ACD/Index Name]
6069-78-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 207.5±8.0 °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: 72.2±10.7 °C
Index of Refraction: 1.537
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.27
ACD/KOC (pH 5.5): 299.91
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.27
ACD/KOC (pH 7.4): 299.91
Polar Surface Area: 17 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 135.9±3.0 cm3

Click to predict properties on the Chemicalize site


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