ChemSpider 2D Image | cyclolobatriene | C20H32O2

cyclolobatriene

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID28184996
  • 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

2-{(2R)-5-[(1S,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]-3,6-dihydro-2H-pyran-2-yl}-2-propanol [German] [ACD/IUPAC Name]
2-{(2R)-5-[(1S,3E,7E)-4,8-Dimethyl-3,7-cyclodecadien-1-yl]-3,6-dihydro-2H-pyran-2-yl}-2-propanol [ACD/IUPAC Name]
2-{(2R)-5-[(1S,3E,7E)-4,8-Diméthyl-3,7-cyclodécadién-1-yl]-3,6-dihydro-2H-pyran-2-yl}-2-propanol [French] [ACD/IUPAC Name]
2H-Pyran-2-methanol, 5-[(1S,3E,7E)-4,8-dimethyl-3,7-cyclodecadien-1-yl]-3,6-dihydro-α,α-dimethyl-, (2R)- [ACD/Index Name]
cyclolobatriene

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

Density: 1.0±0.1 g/cm3
Boiling Point: 419.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±6.0 kJ/mol
Flash Point: 169.8±23.0 °C
Index of Refraction: 1.507
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.98
ACD/LogD (pH 5.5): 5.42
ACD/BCF (pH 5.5): 7747.43
ACD/KOC (pH 5.5): 21156.78
ACD/LogD (pH 7.4): 5.42
ACD/BCF (pH 7.4): 7747.43
ACD/KOC (pH 7.4): 21156.78
Polar Surface Area: 29 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 35.0±3.0 dyne/cm
Molar Volume: 309.6±3.0 cm3

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