ChemSpider 2D Image | (1R,1aR,1bR,2S,5R,5aR,6aR)-1-Isopropyl-2,5a-dimethyldecahydrocyclopropa[a]indene-2,5-diol | C15H26O2

(1R,1aR,1bR,2S,5R,5aR,6aR)-1-Isopropyl-2,5a-dimethyldecahydrocyclopropa[a]indene-2,5-diol

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID28295237
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1R,1aR,1bR,2S,5R,5aR,6aR)-1-Isopropyl-2,5a-dimethyldecahydrocyclopropa[a]inden-2,5-diol [German] [ACD/IUPAC Name]
(1R,1aR,1bR,2S,5R,5aR,6aR)-1-Isopropyl-2,5a-dimethyldecahydrocyclopropa[a]indene-2,5-diol [ACD/IUPAC Name]
(1R,1aR,1bR,2S,5R,5aR,6aR)-1-Isopropyl-2,5a-diméthyldécahydrocyclopropa[a]indène-2,5-diol [French] [ACD/IUPAC Name]
Cycloprop[a]indene-2,5-diol, decahydro-2,5a-dimethyl-1-(1-methylethyl)-, (1R,1aR,1bR,2S,5R,5aR,6aR)- [ACD/Index Name]
(1R,1aR,1bR,2S,5R,5aR,6aR)-2,5a-dimethyl-1-propan-2-yl-1,1a,1b,3,4,5,6,6a-octahydrocyclopropa[a]indene-2,5-diol
(1R,1aR,2S,5R,5aR,6aR)-2,5a-Dimethyl-1-(propan-2-yl)decahydrocyclopropa[a]indene-2,5-diol
213769-80-3 [RN]
6,8-Cyclo-1,4-eudesmanediol
MFCD17214844

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 314.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.4±6.0 kJ/mol
Flash Point: 138.0±13.6 °C
Index of Refraction: 1.539
Molar Refractivity: 68.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 191.63
ACD/KOC (pH 5.5): 1497.62
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 191.63
ACD/KOC (pH 7.4): 1497.62
Polar Surface Area: 40 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 218.7±3.0 cm3

Click to predict properties on the Chemicalize site






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