ChemSpider 2D Image | (1R,2R,5R,6R)-3-Ethynyltricyclo[4.2.0.0~2,5~]octa-3,7-diene | C10H8

(1R,2R,5R,6R)-3-Ethynyltricyclo[4.2.0.02,5]octa-3,7-diene

  • Molecular FormulaC10H8
  • Average mass128.171 Da
  • Monoisotopic mass128.062607 Da
  • ChemSpider ID24184181

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2R,5R,6R)-3-Ethinyltricyclo[4.2.0.02,5]octa-3,7-dien [German] [ACD/IUPAC Name]
(1R,2R,5R,6R)-3-Ethynyltricyclo[4.2.0.02,5]octa-3,7-diene [ACD/IUPAC Name]
(1R,2R,5R,6R)-3-Éthynyltricyclo[4.2.0.02,5]octa-3,7-diène [French] [ACD/IUPAC Name]
Tricyclo[4.2.0.02,5]octa-3,7-diene, 3-ethynyl-, (1R,2R,5R,6R)- [ACD/Index Name]
(1R,2R,5R,6S)-3-ethynyltricyclo[4.2.0.02,5]octa-3,7-diene
163333-05-9 [RN]
Tricyclo[4.2.0.02,5]octa-3,7-diene, 3-ethynyl-, (1α,2α,5α,6α)- (9CI)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 192.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 41.1±0.8 kJ/mol
Flash Point: 57.1±21.5 °C
Index of Refraction: 1.628
Molar Refractivity: 39.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.28
ACD/KOC (pH 5.5): 630.91
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 57.28
ACD/KOC (pH 7.4): 630.91
Polar Surface Area: 0 Å2
Polarizability: 15.7±0.5 10-24cm3
Surface Tension: 42.7±5.0 dyne/cm
Molar Volume: 111.4±5.0 cm3

Click to predict properties on the Chemicalize site


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