Found 5 results

Search term: QRZAIOQXVJRCBS (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,5R,8S,14R)-14-Methyl-6-methylene-10,16,18-trioxahexacyclo[12.5.1.1~5,8~.0~1,11~.0~2,8~.0~17,20~]henicosane-7,9-dione | C20H24O5

(1S,5R,8S,14R)-14-Methyl-6-methylene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione

  • Molecular FormulaC20H24O5
  • Average mass344.402 Da
  • Monoisotopic mass344.162384 Da
  • ChemSpider ID30650810

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(1S,5R,8S,14R)-14-Methyl-6-methylen-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosan-7,9-dion [German] [ACD/IUPAC Name]
(1S,5R,8S,14R)-14-Methyl-6-methylene-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]henicosane-7,9-dione [ACD/IUPAC Name]
(1S,5R,8S,14R)-14-Méthyl-6-méthylène-10,16,18-trioxahexacyclo[12.5.1.15,8.01,11.02,8.017,20]hénicosane-7,9-dione [French] [ACD/IUPAC Name]
6H-6a,9-Methano-2H,12H-1,5,13-trioxacyclohepta[a]pentaleno[1,6-hi]naphthalene-6,7(8H)-dione, decahydro-2a-methyl-8-methylene-, (2aR,6aS,9R,11bS)- [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: 552.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 318.7±18.1 °C
Index of Refraction: 1.597
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.33
ACD/KOC (pH 5.5): 63.80
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 63.80
Polar Surface Area: 62 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 256.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement