ChemSpider 2D Image | (1S,3aS,5aR,8aS)-1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid | C15H22O2

(1S,3aS,5aR,8aS)-1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID25057399

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3aS,5aR,8aS)-1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalen-4-carbonsäure [German] [ACD/IUPAC Name]
(1S,3aS,5aR,8aS)-1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid [ACD/IUPAC Name]
Acide (1S,3aS,5aR,8aS)-1,7,7-triméthyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalène-4-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pentalene-4-carboxylic acid, 1,2,3,3a,5a,6,7,8-octahydro-1,7,7-trimethyl-, (1S,3aS,5aR,8aS)- [ACD/Index Name]
(1S,2S,5S,8R)-2,10,10-trimethyltricyclo[6.3.0.01,5]undec-6-ene-6-carboxylic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 353.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.8±6.0 kJ/mol
Flash Point: 168.5±13.9 °C
Index of Refraction: 1.547
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 100.00
ACD/KOC (pH 5.5): 594.19
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 1.65
ACD/KOC (pH 7.4): 9.83
Polar Surface Area: 37 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 210.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement