ChemSpider 2D Image | (1R,3aS,5aS,6S,6aR,7bS)-1,3a,6-Trimethyl-1,3a,4,5,5a,6,6a,7a-octahydrocyclopenta[6,6a]pentaleno[1,2-b]oxirene-2-carboxylic acid | C15H20O3

(1R,3aS,5aS,6S,6aR,7bS)-1,3a,6-Trimethyl-1,3a,4,5,5a,6,6a,7a-octahydrocyclopenta[6,6a]pentaleno[1,2-b]oxirene-2-carboxylic acid

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID40256560

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1R,3aS,5aS,6S,6aR,7bS)-1,3a,6-Trimethyl-1,3a,4,5,5a,6,6a,7a-octahydrocyclopenta[6,6a]pentaleno[1,2-b]oxiren-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,3aS,5aS,6S,6aR,7bS)-1,3a,6-Trimethyl-1,3a,4,5,5a,6,6a,7a-octahydrocyclopenta[6,6a]pentaleno[1,2-b]oxirene-2-carboxylic acid [ACD/IUPAC Name]
Acide (1R,3aS,5aS,6S,6aR,7bS)-1,3a,6-triméthyl-1,3a,4,5,5a,6,6a,7a-octahydrocyclopenta[6,6a]pentaléno[1,2-b]oxirène-2-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[6,6a]pentaleno[1,2-b]oxirene-2-carboxylic acid, 1,3a,4,5,5a,6,6a,7a-octahydro-1,3a,6-trimethyl-, (1R,3aS,5aS,6S,6aR,7bS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 383.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 142.7±21.4 °C
Index of Refraction: 1.582
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 21.58
ACD/KOC (pH 5.5): 198.74
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.29
Polar Surface Area: 50 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 198.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement