ChemSpider 2D Image | (1R,3S,5R,8S,9S,12R,13R,14S)-1-Hydroxy-14-isopropyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1~9,12~.0~3,5~.0~5,13~]tetradecane-6,11-dione | C15H18O6

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

  • Molecular FormulaC15H18O6
  • Average mass294.300 Da
  • Monoisotopic mass294.110352 Da
  • ChemSpider ID21253025

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(1R,3S,5R,8S,9S,12R,13R,14S)-1-Hydroxy-14-isopropyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecan-6,11-dion [German] [ACD/IUPAC Name]
(1R,3S,5R,8S,9S,12R,13R,14S)-1-Hydroxy-14-isopropyl-13-methyl-4,7,10-trioxapentacyclo[6.4.1.19,12.03,5.05,13]tetradecane-6,11-dione [ACD/IUPAC Name]
(1R,3S,5R,8S,9S,12R,13R,14S)-1-Hydroxy-14-isopropyl-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-methylethyl)-, (1aS,2aR,3R,6S,6aS,8aR,8bR,9S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 539.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 207.7±23.6 °C
Index of Refraction: 1.609
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.19
ACD/LogD (pH 7.4): 0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.19
Polar Surface Area: 85 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 196.9±5.0 cm3

Click to predict properties on the Chemicalize site


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