ChemSpider 2D Image | (4R)-4,8-Dimethyl-4-[(phenylsulfonyl)methyl]-2,3-dioxabicyclo[3.3.1]non-8-yl acetate | C18H24O6S

(4R)-4,8-Dimethyl-4-[(phenylsulfonyl)methyl]-2,3-dioxabicyclo[3.3.1]non-8-yl acetate

  • Molecular FormulaC18H24O6S
  • Average mass368.445 Da
  • Monoisotopic mass368.129364 Da
  • ChemSpider ID23173891

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(4R)-4,8-Dimethyl-4-[(phenylsulfonyl)methyl]-2,3-dioxabicyclo[3.3.1]non-8-yl acetate [ACD/IUPAC Name]
(4R)-4,8-Dimethyl-4-[(phenylsulfonyl)methyl]-2,3-dioxabicyclo[3.3.1]non-8-yl-acetat [German] [ACD/IUPAC Name]
2,3-Dioxabicyclo[3.3.1]nonan-8-ol, 4,8-dimethyl-4-[(phenylsulfonyl)methyl]-, acetate, (4R)- [ACD/Index Name]
Acétate de (4R)-4,8-diméthyl-4-[(phénylsulfonyl)méthyl]-2,3-dioxabicyclo[3.3.1]non-8-yle [French] [ACD/IUPAC Name]
Acetic acid (R)-4-benzenesulfonylmethyl-4,8-dimethyl-2,3-dioxa-bicyclo[3.3.1]non-8-yl ester
Acetic acid 4-benzenesulfonylmethyl-4,8-dimethyl-2,3-dioxa-bicyclo[3.3.1]non-8-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 480.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.5±26.5 °C
Index of Refraction: 1.559
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.75
ACD/KOC (pH 5.5): 719.00
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.75
ACD/KOC (pH 7.4): 719.00
Polar Surface Area: 87 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 285.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement