ChemSpider 2D Image | (1S,2R,5R,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylene-16-oxapentacyclo[10.3.2.1~5,8~.0~1,11~.0~2,8~]octadecane-7,17-dione | C21H28O4

(1S,2R,5R,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID58843265

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2R,5R,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylen-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecan-7,17-dion [German] [ACD/IUPAC Name]
(1S,2R,5R,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione [ACD/IUPAC Name]
(1S,2R,5R,8R,11R,12R)-5-Méthoxy-2,12-diméthyl-6-méthylène-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadécane-7,17-dione [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 505.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 221.6±30.2 °C
Index of Refraction: 1.565
Molar Refractivity: 92.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.53
ACD/KOC (pH 5.5): 353.83
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.53
ACD/KOC (pH 7.4): 353.83
Polar Surface Area: 53 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 46.2±5.0 dyne/cm
Molar Volume: 283.6±5.0 cm3

Click to predict properties on the Chemicalize site


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