ChemSpider 2D Image | (1S,8Z)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.0~2,6~]pentadeca-2(6),3,8,12(15)-tetraen-13-one | C15H16O3

(1S,8Z)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-one

  • Molecular FormulaC15H16O3
  • Average mass244.286 Da
  • Monoisotopic mass244.109940 Da
  • ChemSpider ID60958788

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S,8Z)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-on [German] [ACD/IUPAC Name]
(1S,8Z)-3,8-Dimethyl-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-2(6),3,8,12(15)-tetraen-13-one [ACD/IUPAC Name]
(1S,8Z)-3,8-Diméthyl-5,14-dioxatricyclo[10.2.1.02,6]pentadéca-2(6),3,8,12(15)-tétraén-13-one [French] [ACD/IUPAC Name]
6H-4,7-Methenofuro[3,2-c]oxacycloundecin-6-one, 4,8,9,12-tetrahydro-3,11-dimethyl-, (4S,10Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 437.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.6±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 67.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.28
ACD/KOC (pH 5.5): 1692.14
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.28
ACD/KOC (pH 7.4): 1692.14
Polar Surface Area: 39 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 204.6±5.0 cm3

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