ChemSpider 2D Image | 4,8-Dioxabicyclo(5.1.0)octa-2,5-diene | C6H6O2

4,8-Dioxabicyclo(5.1.0)octa-2,5-diene

  • Molecular FormulaC6H6O2
  • Average mass110.111 Da
  • Monoisotopic mass110.036781 Da
  • ChemSpider ID52085791

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,6:3,4-Dianhydro-2,5-dideoxy-D-erythro-hexa-1,5-dienitol [ACD/IUPAC Name]
1,6:3,4-Dianhydro-2,5-didesoxy-D-erythro-hexa-1,5-dienitol [German] [ACD/IUPAC Name]
1,6:3,4-Dianhydro-2,5-didésoxy-D-érythro-hexa-1,5-diénitol [French] [ACD/IUPAC Name]
184045-37-2 [RN]
4,8-Dioxabicyclo(5.1.0)octa-2,5-diene
D-erythro-Hexa-1,5-dienitol, 1,6:3,4-dianhydro-2,5-dideoxy- [ACD/Index Name]

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

F3KRO10B2V [DBID]
UNII:F3KRO10B2V [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 222.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.0±3.0 kJ/mol
Flash Point: 101.8±26.9 °C
Index of Refraction: 1.526
Molar Refractivity: 28.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.91
ACD/LogD (pH 7.4): -0.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.91
Polar Surface Area: 22 Å2
Polarizability: 11.2±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 91.6±3.0 cm3

Click to predict properties on the Chemicalize site


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