Found 6 results

Search term: DZASHWYZXQVNJH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2aR,3S,4aR,5R,6S,8R,8aS)-3,6-Dibromo-2a,4a,5,8-tetramethyloctahydrocyclobuta[c]inden-7(8H)-one | C15H22Br2O

(2aR,3S,4aR,5R,6S,8R,8aS)-3,6-Dibromo-2a,4a,5,8-tetramethyloctahydrocyclobuta[c]inden-7(8H)-one

  • Molecular FormulaC15H22Br2O
  • Average mass378.143 Da
  • Monoisotopic mass376.003723 Da
  • ChemSpider ID29214170

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2aR,3S,4aR,5R,6S,8R,8aS)-3,6-Dibrom-2a,4a,5,8-tetramethyloctahydrocyclobuta[c]inden-7(8H)-on [German] [ACD/IUPAC Name]
(2aR,3S,4aR,5R,6S,8R,8aS)-3,6-Dibromo-2a,4a,5,8-tetramethyloctahydrocyclobuta[c]inden-7(8H)-one [ACD/IUPAC Name]
(2aR,3S,4aR,5R,6S,8R,8aS)-3,6-Dibromo-2a,4a,5,8-tétraméthyloctahydrocyclobuta[c]indén-7(8H)-one [French] [ACD/IUPAC Name]
Cyclobut[c]inden-7(8H)-one, 3,6-dibromooctahydro-2a,4a,5,8-tetramethyl-, (2aR,3S,4aR,5R,6S,8R,8aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 380.4±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.9±3.0 kJ/mol
Flash Point: 73.2±13.1 °C
Index of Refraction: 1.568
Molar Refractivity: 80.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 617.01
ACD/KOC (pH 5.5): 3458.55
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 617.01
ACD/KOC (pH 7.4): 3458.55
Polar Surface Area: 17 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 43.3±5.0 dyne/cm
Molar Volume: 247.1±5.0 cm3

Click to predict properties on the Chemicalize site


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