ChemSpider 2D Image | (1S,4R)-4,7-Dimethyl-3,4-dihydro-2H-spiro[naphthalene-1,2'-pyran]-3',5,6',8-tetrone | C16H14O5

(1S,4R)-4,7-Dimethyl-3,4-dihydro-2H-spiro[naphthalene-1,2'-pyran]-3',5,6',8-tetrone

  • Molecular FormulaC16H14O5
  • Average mass286.279 Da
  • Monoisotopic mass286.084137 Da
  • ChemSpider ID44210973

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,4R)-4,7-Dimethyl-3,4-dihydro-2H-spiro[naphthalene-1,2'-pyran]-3',5,6',8-tetron [German] [ACD/IUPAC Name]
(1S,4R)-4,7-Dimethyl-3,4-dihydro-2H-spiro[naphthalene-1,2'-pyran]-3',5,6',8-tetrone [ACD/IUPAC Name]
(1S,4R)-4,7-Diméthyl-3,4-dihydro-2H-spiro[naphthalene-1,2'-pyran]-3',5,6',8-tétrone [French] [ACD/IUPAC Name]
Spiro[naphthalene-1(2H),2'-[2H]pyran]-3',5,6',8-tetrone, 3,4-dihydro-4,7-dimethyl-, (1S,4R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 231.2±30.2 °C
Index of Refraction: 1.591
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.64
ACD/KOC (pH 5.5): 201.65
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.64
ACD/KOC (pH 7.4): 201.65
Polar Surface Area: 78 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 210.7±5.0 cm3

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