ChemSpider 2D Image | (1S,4S,5R,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracyclo[10.2.1.0~4,13~.0~8,13~]pentadecan-10-one | C15H22O4

(1S,4S,5R,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID28942655
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1S,4S,5R,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-on [German] [ACD/IUPAC Name]
(1S,4S,5R,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-one [ACD/IUPAC Name]
(1S,4S,5R,8S,9S,12S,13R)-1,5,9-Triméthyl-11,14,15-trioxatétracyclo[10.2.1.04,13.08,13]pentadécan-10-one [French] [ACD/IUPAC Name]
10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, (3S,3aS,6R,6aS,9S,10aS,10bR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 387.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 171.5±26.5 °C
Index of Refraction: 1.535
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.73
ACD/KOC (pH 5.5): 634.51
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.73
ACD/KOC (pH 7.4): 634.51
Polar Surface Area: 45 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 220.4±5.0 cm3

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