ChemSpider 2D Image | (1S,9S,13S)-9,10,13-Trimethyl-3-oxatricyclo[7.2.2.0~2,6~]trideca-2(6),4,10-triene | C15H20O

(1S,9S,13S)-9,10,13-Trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-triene

  • Molecular FormulaC15H20O
  • Average mass216.319 Da
  • Monoisotopic mass216.151413 Da
  • ChemSpider ID24689932

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,9S,13S)-9,10,13-Trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-trien [German] [ACD/IUPAC Name]
(1S,9S,13S)-9,10,13-Trimethyl-3-oxatricyclo[7.2.2.02,6]trideca-2(6),4,10-triene [ACD/IUPAC Name]
(1S,9S,13S)-9,10,13-Triméthyl-3-oxatricyclo[7.2.2.02,6]tridéca-2(6),4,10-triène [French] [ACD/IUPAC Name]
6,9-Ethanocycloocta[b]furan, 4,5,6,9-tetrahydro-6,7,11-trimethyl-, (6S,9S,11S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 287.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.5±3.0 kJ/mol
Flash Point: 121.7±8.3 °C
Index of Refraction: 1.515
Molar Refractivity: 65.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4286.60
ACD/KOC (pH 5.5): 13850.32
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4286.60
ACD/KOC (pH 7.4): 13850.32
Polar Surface Area: 13 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 217.0±3.0 cm3

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