ChemSpider 2D Image | (1S,10R,11S,12R)-10-Hydroxy-4,8,12-trimethyl-2,14-dioxatetracyclo[9.2.1.0~1,5~.0~7,11~]tetradeca-4,6,8-trien-3-one | C15H16O4

(1S,10R,11S,12R)-10-Hydroxy-4,8,12-trimethyl-2,14-dioxatetracyclo[9.2.1.01,5.07,11]tetradeca-4,6,8-trien-3-one

  • Molecular FormulaC15H16O4
  • Average mass260.285 Da
  • Monoisotopic mass260.104858 Da
  • ChemSpider ID44210795

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,10R,11S,12R)-10-Hydroxy-4,8,12-trimethyl-2,14-dioxatetracyclo[9.2.1.01,5.07,11]tetradeca-4,6,8-trien-3-on [German] [ACD/IUPAC Name]
(1S,10R,11S,12R)-10-Hydroxy-4,8,12-trimethyl-2,14-dioxatetracyclo[9.2.1.01,5.07,11]tetradeca-4,6,8-trien-3-one [ACD/IUPAC Name]
(1S,10R,11S,12R)-10-Hydroxy-4,8,12-triméthyl-2,14-dioxatétracyclo[9.2.1.01,5.07,11]tétradéca-4,6,8-trién-3-one [French] [ACD/IUPAC Name]
7a,9a-Epoxyazuleno[6,5-b]furan-2(7H)-one, 8,9-dihydro-7-hydroxy-3,5,8-trimethyl-, (7R,7aS,8R,9aS)- [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: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.1±6.0 kJ/mol
Flash Point: 219.7±23.6 °C
Index of Refraction: 1.629
Molar Refractivity: 67.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 33.56
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 33.56
Polar Surface Area: 56 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 189.2±5.0 cm3

Click to predict properties on the Chemicalize site


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