ChemSpider 2D Image | (5E,8aR,12R,12aR)-10-Chloro-12-hydroxy-1,5,8a,12-tetramethyl-4,8,8a,12,12a,13-hexahydrobenzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one | C20H25ClO3

(5E,8aR,12R,12aR)-10-Chloro-12-hydroxy-1,5,8a,12-tetramethyl-4,8,8a,12,12a,13-hexahydrobenzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one

  • Molecular FormulaC20H25ClO3
  • Average mass348.864 Da
  • Monoisotopic mass348.149231 Da
  • ChemSpider ID29215743

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5E,8aR,12R,12aR)-10-Chlor-12-hydroxy-1,5,8a,12-tetramethyl-4,8,8a,12,12a,13-hexahydrobenzo[4,5]cyclodeca[1,2-b]furan-9(7H)-on [German] [ACD/IUPAC Name]
(5E,8aR,12R,12aR)-10-Chloro-12-hydroxy-1,5,8a,12-tetramethyl-4,8,8a,12,12a,13-hexahydrobenzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one [ACD/IUPAC Name]
(5E,8aR,12R,12aR)-10-Chloro-12-hydroxy-1,5,8a,12-tétraméthyl-4,8,8a,12,12a,13-hexahydrobenzo[4,5]cyclodéca[1,2-b]furan-9(7H)-one [French] [ACD/IUPAC Name]
Benzo[4,5]cyclodeca[1,2-b]furan-9(7H)-one, 10-chloro-4,8,8a,12,12a,13-hexahydro-12-hydroxy-1,5,8a,12-tetramethyl-, (5E,8aR,12R,12aR)- [ACD/Index Name]
verecynarmin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 458.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 231.1±28.7 °C
Index of Refraction: 1.571
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2361.55
ACD/KOC (pH 5.5): 9039.22
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2361.54
ACD/KOC (pH 7.4): 9039.17
Polar Surface Area: 50 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 289.2±5.0 cm3

Click to predict properties on the Chemicalize site


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