ChemSpider 2D Image | (5S,7R)-5-(4-Chlorophenyl)-7-[(2S)-2,6-dimethyl-5-hepten-1-yl]-2,2-dimethyl-7,8-dihydro-4H,5H-pyrano[4,3-d][1,3]dioxin-4-one | C24H31ClO4

(5S,7R)-5-(4-Chlorophenyl)-7-[(2S)-2,6-dimethyl-5-hepten-1-yl]-2,2-dimethyl-7,8-dihydro-4H,5H-pyrano[4,3-d][1,3]dioxin-4-one

  • Molecular FormulaC24H31ClO4
  • Average mass418.953 Da
  • Monoisotopic mass418.191101 Da
  • ChemSpider ID26628629

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,7R)-5-(4-Chlorophenyl)-7-[(2S)-2,6-dimethyl-5-hepten-1-yl]-2,2-dimethyl-7,8-dihydro-4H,5H-pyrano[4,3-d][1,3]dioxin-4-one [ACD/IUPAC Name]
(5S,7R)-5-(4-Chlorophényl)-7-[(2S)-2,6-diméthyl-5-heptén-1-yl]-2,2-diméthyl-7,8-dihydro-4H,5H-pyrano[4,3-d][1,3]dioxin-4-one [French] [ACD/IUPAC Name]
(5S,7R)-5-(4-Chlorphenyl)-7-[(2S)-2,6-dimethyl-5-hepten-1-yl]-2,2-dimethyl-7,8-dihydro-4H,5H-pyrano[4,3-d][1,3]dioxin-4-on [German] [ACD/IUPAC Name]
4H,5H-Pyrano[4,3-d]-1,3-dioxin-4-one, 5-(4-chlorophenyl)-7-[(2S)-2,6-dimethyl-5-hepten-1-yl]-7,8-dihydro-2,2-dimethyl-, (5S,7R)- [ACD/Index 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: 541.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 177.8±29.1 °C
Index of Refraction: 1.551
Molar Refractivity: 115.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.84
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 46949.28
ACD/KOC (pH 5.5): 76830.70
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 46949.28
ACD/KOC (pH 7.4): 76830.70
Polar Surface Area: 45 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 361.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement