ChemSpider 2D Image | (1R,2R)-1-{[(1R,2S)-1,2-Dimethyl-2-(3-methyl-3-buten-1-yl)cyclopropyl]methyl}-1,2-dimethyl-2-{[(1R)-1,2,2-trimethylcyclopropyl]methyl}cyclopropane | C23H40

(1R,2R)-1-{[(1R,2S)-1,2-Dimethyl-2-(3-methyl-3-buten-1-yl)cyclopropyl]methyl}-1,2-dimethyl-2-{[(1R)-1,2,2-trimethylcyclopropyl]methyl}cyclopropane

  • Molecular FormulaC23H40
  • Average mass316.564 Da
  • Monoisotopic mass316.312988 Da
  • ChemSpider ID74043565

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R)-1-{[(1R,2S)-1,2-Dimethyl-2-(3-methyl-3-buten-1-yl)cyclopropyl]methyl}-1,2-dimethyl-2-{[(1R)-1,2,2-trimethylcyclopropyl]methyl}cyclopropan [German] [ACD/IUPAC Name]
(1R,2R)-1-{[(1R,2S)-1,2-Dimethyl-2-(3-methyl-3-buten-1-yl)cyclopropyl]methyl}-1,2-dimethyl-2-{[(1R)-1,2,2-trimethylcyclopropyl]methyl}cyclopropane [ACD/IUPAC Name]
(1R,2R)-1-{[(1R,2S)-1,2-Diméthyl-2-(3-méthyl-3-butén-1-yl)cyclopropyl]méthyl}-1,2-diméthyl-2-{[(1R)-1,2,2-triméthylcyclopropyl]méthyl}cyclopropane [French] [ACD/IUPAC Name]
Cyclopropane, 1-[[(1R,2S)-1,2-dimethyl-2-(3-methyl-3-buten-1-yl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]-, (1R,2R)- [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: 345.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 56.6±0.8 kJ/mol
Flash Point: 154.7±8.6 °C
Index of Refraction: 1.480
Molar Refractivity: 102.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 10.34
ACD/LogD (pH 5.5): 9.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2553052.00
ACD/LogD (pH 7.4): 9.25
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2553052.00
Polar Surface Area: 0 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 34.8±3.0 dyne/cm
Molar Volume: 359.5±3.0 cm3

Click to predict properties on the Chemicalize site


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