ChemSpider 2D Image | (1R,3R,5S,8S,9S,12S,13R,14R)-1-Hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione | C15H16O6

(1R,3R,5S,8S,9S,12S,13R,14R)-1-Hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione

  • Molecular FormulaC15H16O6
  • Average mass292.284 Da
  • Monoisotopic mass292.094696 Da
  • ChemSpider ID78433382

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3R,5S,8S,9S,12S,13R,14R)-1-Hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-6,11-dion [German] [ACD/IUPAC Name]
(1R,3R,5S,8S,9S,12S,13R,14R)-1-Hydroxy-14-isopropenyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione [ACD/IUPAC Name]
(1R,3R,5S,8S,9S,12S,13R,14R)-1-Hydroxy-14-isopropényl-13-méthyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tétradécane-6,11-dione [French] [ACD/IUPAC Name]
3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione, hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-, (1aR,2aR,3S,6S,6aS,8aS,8bR,9R)- [ACD/Index Name]
(1R,3R,5S,8S,9S,12S,13R,14R)-1-Hydroxy-13-methyl-14-prop-1-en-2-yl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 551.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.6±6.0 kJ/mol
Flash Point: 214.0±23.6 °C
Index of Refraction: 1.625
Molar Refractivity: 67.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.13
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.36
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.36
Polar Surface Area: 85 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 191.5±5.0 cm3

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