ChemSpider 2D Image | (3aR,5aR,10bR)-1-Isopropyl-3a,5a,8-trimethyl-4,5,5a,6,9,10,10a,10b-octahydrocyclohepta[e]inden-3(3aH)-one | C20H30O

(3aR,5aR,10bR)-1-Isopropyl-3a,5a,8-trimethyl-4,5,5a,6,9,10,10a,10b-octahydrocyclohepta[e]inden-3(3aH)-one

  • Molecular FormulaC20H30O
  • Average mass286.452 Da
  • Monoisotopic mass286.229675 Da
  • ChemSpider ID24697648

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aR,5aR,10bR)-1-Isopropyl-3a,5a,8-trimethyl-4,5,5a,6,9,10,10a,10b-octahydrocyclohepta[e]inden-3(3aH)-on [German] [ACD/IUPAC Name]
(3aR,5aR,10bR)-1-Isopropyl-3a,5a,8-trimethyl-4,5,5a,6,9,10,10a,10b-octahydrocyclohepta[e]inden-3(3aH)-one [ACD/IUPAC Name]
(3aR,5aR,10bR)-1-Isopropyl-3a,5a,8-triméthyl-4,5,5a,6,9,10,10a,10b-octahydrocyclohepta[e]indén-3(3aH)-one [French] [ACD/IUPAC Name]
Cyclohept[e]inden-3(3aH)-one, 4,5,5a,6,9,10,10a,10b-octahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3aR,5aR,10bR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 379.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.7±3.0 kJ/mol
Flash Point: 182.1±18.7 °C
Index of Refraction: 1.515
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 13233.13
ACD/KOC (pH 5.5): 31036.61
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13233.13
ACD/KOC (pH 7.4): 31036.61
Polar Surface Area: 17 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 291.1±3.0 cm3

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