ChemSpider 2D Image | (1S,3E,7E,10E,14S)-1,4,8,12,12-Pentamethyl-15-oxabicyclo[12.1.0]pentadeca-3,7,10-triene | C19H30O

(1S,3E,7E,10E,14S)-1,4,8,12,12-Pentamethyl-15-oxabicyclo[12.1.0]pentadeca-3,7,10-triene

  • Molecular FormulaC19H30O
  • Average mass274.441 Da
  • Monoisotopic mass274.229675 Da
  • ChemSpider ID40256723

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3E,7E,10E,14S)-1,4,8,12,12-Pentamethyl-15-oxabicyclo[12.1.0]pentadeca-3,7,10-trien [German] [ACD/IUPAC Name]
(1S,3E,7E,10E,14S)-1,4,8,12,12-Pentamethyl-15-oxabicyclo[12.1.0]pentadeca-3,7,10-triene [ACD/IUPAC Name]
(1S,3E,7E,10E,14S)-1,4,8,12,12-Pentaméthyl-15-oxabicyclo[12.1.0]pentadéca-3,7,10-triène [French] [ACD/IUPAC Name]
15-Oxabicyclo[12.1.0]pentadeca-3,7,10-triene, 1,4,8,12,12-pentamethyl-, (1S,3E,7E,10E,14S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 354.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 163.8±25.9 °C
Index of Refraction: 1.474
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 6.09
ACD/BCF (pH 5.5): 25033.19
ACD/KOC (pH 5.5): 48982.73
ACD/LogD (pH 7.4): 6.09
ACD/BCF (pH 7.4): 25033.19
ACD/KOC (pH 7.4): 48982.73
Polar Surface Area: 13 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 26.7±3.0 dyne/cm
Molar Volume: 307.2±3.0 cm3

Click to predict properties on the Chemicalize site


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