ChemSpider 2D Image | (1R)-7-Isopropyl-1,2,3,4-tetrahydro-1-naphthalenyl 5-[(methylsulfonyl)methyl]-2-furoate | C20H24O5S

(1R)-7-Isopropyl-1,2,3,4-tetrahydro-1-naphthalenyl 5-[(methylsulfonyl)methyl]-2-furoate

  • Molecular FormulaC20H24O5S
  • Average mass376.467 Da
  • Monoisotopic mass376.134430 Da
  • ChemSpider ID30397428

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R)-7-Isopropyl-1,2,3,4-tetrahydro-1-naphthalenyl 5-[(methylsulfonyl)methyl]-2-furoate [ACD/IUPAC Name]
(1R)-7-Isopropyl-1,2,3,4-tetrahydro-1-naphthalinyl-5-[(methylsulfonyl)methyl]-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, 5-[(methylsulfonyl)methyl]-, (1R)-1,2,3,4-tetrahydro-7-(1-methylethyl)-1-naphthalenyl ester [ACD/Index Name]
5-[(Méthylsulfonyl)méthyl]-2-furoate de (1R)-7-isopropyl-1,2,3,4-tétrahydro-1-naphtalényle [French] [ACD/IUPAC 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: 574.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.1±3.0 kJ/mol
Flash Point: 301.5±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 4.16
ACD/BCF (pH 5.5): 848.67
ACD/KOC (pH 5.5): 4345.03
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 848.67
ACD/KOC (pH 7.4): 4345.03
Polar Surface Area: 82 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 299.4±5.0 cm3

Click to predict properties on the Chemicalize site


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