ChemSpider 2D Image | (3aR,5aR,6S,10aR)-1-Isopropyl-3a,5a,8-trimethyl-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-6-ol | C20H32O

(3aR,5aR,6S,10aR)-1-Isopropyl-3a,5a,8-trimethyl-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-6-ol

  • Molecular FormulaC20H32O
  • Average mass288.467 Da
  • Monoisotopic mass288.245331 Da
  • ChemSpider ID28282186

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(3aR,5aR,6S,10aR)-1-Isopropyl-3a,5a,8-trimethyl-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-6-ol [German] [ACD/IUPAC Name]
(3aR,5aR,6S,10aR)-1-Isopropyl-3a,5a,8-trimethyl-2,3,3a,4,5,5a,6,9,10,10a-decahydrocyclohepta[e]inden-6-ol [ACD/IUPAC Name]
(3aR,5aR,6S,10aR)-1-Isopropyl-3a,5a,8-triméthyl-2,3,3a,4,5,5a,6,9,10,10a-décahydrocyclohepta[e]indén-6-ol [French] [ACD/IUPAC Name]
Cyclohept[e]inden-6-ol, 2,3,3a,4,5,5a,6,9,10,10a-decahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3aR,5aR,6S,10aR)- [ACD/Index Name]
erinacol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 383.7±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.1±6.0 kJ/mol
Flash Point: 163.6±19.9 °C
Index of Refraction: 1.532
Molar Refractivity: 89.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.67
ACD/LogD (pH 5.5): 6.32
ACD/BCF (pH 5.5): 37342.03
ACD/KOC (pH 5.5): 65217.33
ACD/LogD (pH 7.4): 6.32
ACD/BCF (pH 7.4): 37342.03
ACD/KOC (pH 7.4): 65217.33
Polar Surface Area: 20 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 287.5±5.0 cm3

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