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Search term: 78436586 (Found by CSID)
ChemSpider 2D Image | [(1aR,3aR,6aR,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indene-1a,2(1H)-diyl]dimethanol | C15H24O2

[(1aR,3aR,6aR,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indene-1a,2(1H)-diyl]dimethanol

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID78436586

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1aR,3aR,6aR,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]inden-1a,2(1H)-diyl]dimethanol [German] [ACD/IUPAC Name]
[(1aR,3aR,6aR,6bS)-5,5,6b-Trimethyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indene-1a,2(1H)-diyl]dimethanol [ACD/IUPAC Name]
[(1aR,3aR,6aR,6bS)-5,5,6b-Triméthyl-3a,4,5,6,6a,6b-hexahydrocyclopropa[e]indène-1a,2(1H)-diyl]diméthanol [French] [ACD/IUPAC Name]
Cycloprop[e]indene-1a,2(1H)-dimethanol, 3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aR,3aR,6aR,6bS)- [ACD/Index Name]
Isovellerdiol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 345.3±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.3±6.0 kJ/mol
Flash Point: 157.7±15.5 °C
Index of Refraction: 1.544
Molar Refractivity: 68.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 217.95
ACD/KOC (pH 5.5): 1642.13
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 217.95
ACD/KOC (pH 7.4): 1642.13
Polar Surface Area: 40 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 215.8±3.0 cm3

Click to predict properties on the Chemicalize site


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