ChemSpider 2D Image | carijodienone | C21H28O

carijodienone

  • Molecular FormulaC21H28O
  • Average mass296.446 Da
  • Monoisotopic mass296.214020 Da
  • ChemSpider ID26393950

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5R)-5,9-Cyclo-9,10-secopregna-1(10),3,20-trien-2-on [German] [ACD/IUPAC Name]
(5R)-5,9-Cyclo-9,10-secopregna-1(10),3,20-trien-2-one [ACD/IUPAC Name]
(5R)-5,9-Cyclo-9,10-sécoprégna-1(10),3,20-trién-2-one [French] [ACD/IUPAC Name]
carijodienone
Spiro[cyclohexa-2,5-diene-1,3'(2'H)-[as]indacen]-4-one, 6'-ethenyl-1',3'a,4',5',5'a,6',7',8',8'a,8'b-decahydro-2,5'a-dimethyl-, (1R,3a'S,5a'R,6'R,8a'S,8b'S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 412.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 177.1±23.7 °C
Index of Refraction: 1.558
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9437.42
ACD/KOC (pH 5.5): 24366.31
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9437.42
ACD/KOC (pH 7.4): 24366.31
Polar Surface Area: 17 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 280.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement