ChemSpider 2D Image | (1S,3aR,3bS,6R,6aR,6bR)-3a,6-Dimethyl-1-[(3,3-~2~H_2_)-1-propen-2-yl](3,3,5,5-~2~H_4_)decahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentene | C15H18D6

(1S,3aR,3bS,6R,6aR,6bR)-3a,6-Dimethyl-1-[(3,3-2H2)-1-propen-2-yl](3,3,5,5-2H4)decahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentene

  • Molecular FormulaC15H18D6
  • Average mass210.388 Da
  • Monoisotopic mass210.225464 Da
  • ChemSpider ID8759975

  • 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

(1S,3aR,3bS,6R,6aR,6bR)-3a,6-Dimethyl-1-[(3,3-2H2)-1-propen-2-yl](3,3,5,5-2H4)decahydrocyclopenta[3,4]cyclobuta[1,2]cyclopenten [German] [ACD/IUPAC Name]
(1S,3aR,3bS,6R,6aR,6bR)-3a,6-Dimethyl-1-[(3,3-2H2)-1-propen-2-yl](3,3,5,5-2H4)decahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentene [ACD/IUPAC Name]
(1S,3aR,3bS,6R,6aR,6bR)-3a,6-Diméthyl-1-[(3,3-2H2)-1-propén-2-yl](3,3,5,5-2H4)décahydrocyclopenta[3,4]cyclobuta[1,2]cyclopentène [French] [ACD/IUPAC Name]
Cyclobuta[1,2-a:3,4-a']dicyclopentene-1,5-d2, decahydro-1,5-d2-4,6b-dimethyl-3-[1-(methyl-d2)ethenyl]-, (3S,3aR,3bR,4R,6aS,6bR)- [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): 5.63
ACD/BCF (pH 5.5): 11174.09
ACD/KOC (pH 5.5): 27497.87
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 11174.09
ACD/KOC (pH 7.4): 27497.87
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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