ChemSpider 2D Image | (2aR,2bS,5R,5aR,6S,6aS)-2a,5-Dimethyl-6-[(1,1-~2~H_2_)-1-propen-2-yl](2,2,4,4-~2~H_4_)decahydrocyclobuta[a]pentalene | C15H18D6

(2aR,2bS,5R,5aR,6S,6aS)-2a,5-Dimethyl-6-[(1,1-2H2)-1-propen-2-yl](2,2,4,4-2H4)decahydrocyclobuta[a]pentalene

  • Molecular FormulaC15H18D6
  • Average mass210.388 Da
  • Monoisotopic mass210.225464 Da
  • ChemSpider ID8879032

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2aR,2bS,5R,5aR,6S,6aS)-2a,5-Dimethyl-6-[(1,1-2H2)-1-propen-2-yl](2,2,4,4-2H4)decahydrocyclobuta[a]pentalen [German] [ACD/IUPAC Name]
(2aR,2bS,5R,5aR,6S,6aS)-2a,5-Dimethyl-6-[(1,1-2H2)-1-propen-2-yl](2,2,4,4-2H4)decahydrocyclobuta[a]pentalene [ACD/IUPAC Name]
(2aR,2bS,5R,5aR,6S,6aS)-2a,5-Diméthyl-6-[(1,1-2H2)-1-propén-2-yl](2,2,4,4-2H4)décahydrocyclobuta[a]pentalène [French] [ACD/IUPAC Name]
Cyclobuta[a]pentalene-2,4-d2, decahydro-2,4-d2-2a,5-dimethyl-6-(1-methylethenyl-2,2-d2)-, (2aR,2bS,5R,5aR,6S,6aS)- [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: 256.4±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 47.4±0.8 kJ/mol
Flash Point: 97.6±13.0 °C
Index of Refraction: 1.503
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.70
ACD/BCF (pH 5.5): 12671.51
ACD/KOC (pH 5.5): 30087.98
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12671.51
ACD/KOC (pH 7.4): 30087.98
Polar Surface Area: 0 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 219.7±3.0 cm3

Click to predict properties on the Chemicalize site


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