ChemSpider 2D Image | (1S,2S,5R)-2-Hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid | C10H16O3

(1S,2S,5R)-2-Hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid

  • Molecular FormulaC10H16O3
  • Average mass184.232 Da
  • Monoisotopic mass184.109940 Da
  • ChemSpider ID31107015

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,5R)-2-Hydroxy-6,6-dimethylbicyclo[3.1.1]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,2S,5R)-2-Hydroxy-6,6-dimethylbicyclo[3.1.1]heptane-2-carboxylic acid [ACD/IUPAC Name]
Acide (1S,2S,5R)-2-hydroxy-6,6-diméthylbicyclo[3.1.1]heptane-2-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[3.1.1]heptane-2-carboxylic acid, 2-hydroxy-6,6-dimethyl-, (1S,2S,5R)- [ACD/Index Name]
Nopinoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 316.5±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.7±6.0 kJ/mol
Flash Point: 159.5±19.7 °C
Index of Refraction: 1.537
Molar Refractivity: 47.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 151.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement