ChemSpider 2D Image | (2E,6S,10Z,11aS,14aR)-1-hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione | C16H22O4

(2E,6S,10Z,11aS,14aR)-1-hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID23129637

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2E,6S,10Z,11aS,14aR)-1-Hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecin-4,13(1H)-dion [German] [ACD/IUPAC Name]
(1R,2E,6S,10Z,11aS,14aR)-1-Hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione [ACD/IUPAC Name]
(1R,2E,6S,10Z,11aS,14aR)-1-Hydroxy-6-méthyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridécine-4,13(1H)-dione [French] [ACD/IUPAC Name]
(2E,6S,10Z,11aS,14aR)-1-hydroxy-6-methyl-6,7,8,9,11a,12,14,14a-octahydro-4H-cyclopenta[f]oxacyclotridecine-4,13(1H)-dione
4H-Cyclopent[f]oxacyclotridecin-4,13(1H)-dione, 6,7,8,9,11a,12,14,14a-octahydro-1-hydroxy-6-methyl-, (1R,2E,6S,10Z,11aS,14aR)- [ACD/Index Name]
4H-cyclopent[f]oxacyclotridecin-4,13(1H)-dione, 6,7,8,9,11a,12,14,14a-octahydro-1-hydroxy-6-methyl-, (2E,6S,10Z,11aS,14aR)-
(5E,13Z)-(3aR,4R,9S,14aS)-4-Hydroxy-9-methyl-1,3a,4,9,10,11,12,14a-octahydro-3H-8-oxa-cyclopentacyclotridecene-2,7-dione

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

Density: 1.1±0.1 g/cm3
Boiling Point: 494.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.7±6.0 kJ/mol
Flash Point: 182.6±22.2 °C
Index of Refraction: 1.503
Molar Refractivity: 74.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 7.96
ACD/KOC (pH 5.5): 153.63
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.96
ACD/KOC (pH 7.4): 153.63
Polar Surface Area: 64 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 252.5±3.0 cm3

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