ChemSpider 2D Image | (1R,6aR,7aR)-1-Methoxy-6,6-dimethyl-6a,7a-dihydrooxireno[6,7]naphtho[1,2-c]furan-3,8(1H,6H)-dione | C15H14O5

(1R,6aR,7aR)-1-Methoxy-6,6-dimethyl-6a,7a-dihydrooxireno[6,7]naphtho[1,2-c]furan-3,8(1H,6H)-dione

  • Molecular FormulaC15H14O5
  • Average mass274.269 Da
  • Monoisotopic mass274.084137 Da
  • ChemSpider ID24708274

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,6aR,7aR)-1-Methoxy-6,6-dimethyl-6a,7a-dihydrooxireno[6,7]naphtho[1,2-c]furan-3,8(1H,6H)-dion [German] [ACD/IUPAC Name]
(1R,6aR,7aR)-1-Methoxy-6,6-dimethyl-6a,7a-dihydrooxireno[6,7]naphtho[1,2-c]furan-3,8(1H,6H)-dione [ACD/IUPAC Name]
(1R,6aR,7aR)-1-Méthoxy-6,6-diméthyl-6a,7a-dihydrooxiréno[6,7]naphto[1,2-c]furane-3,8(1H,6H)-dione [French] [ACD/IUPAC Name]
Oxireno[6,7]naphtho[1,2-c]furan-3,8(1H,6H)-dione, 6a,7a-dihydro-1-methoxy-6,6-dimethyl-, (1R,6aR,7aR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL499054/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 463.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 276.3±16.7 °C
Index of Refraction: 1.611
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.62
ACD/KOC (pH 5.5): 104.13
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.62
ACD/KOC (pH 7.4): 104.13
Polar Surface Area: 65 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 194.9±5.0 cm3

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