ChemSpider 2D Image | (3aS,5aR,10aR)-1-Isopropyl-3a,5a,8-trimethyl-3,3a,4,5,5a,9,10,10a-octahydrocyclohepta[e]indene-2,6-dione | C20H28O2

(3aS,5aR,10aR)-1-Isopropyl-3a,5a,8-trimethyl-3,3a,4,5,5a,9,10,10a-octahydrocyclohepta[e]indene-2,6-dione

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID78441201

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,5aR,10aR)-1-Isopropyl-3a,5a,8-trimethyl-3,3a,4,5,5a,9,10,10a-octahydrocyclohepta[e]inden-2,6-dion [German] [ACD/IUPAC Name]
(3aS,5aR,10aR)-1-Isopropyl-3a,5a,8-trimethyl-3,3a,4,5,5a,9,10,10a-octahydrocyclohepta[e]indene-2,6-dione [ACD/IUPAC Name]
(3aS,5aR,10aR)-1-Isopropyl-3a,5a,8-triméthyl-3,3a,4,5,5a,9,10,10a-octahydrocyclohepta[e]indène-2,6-dione [French] [ACD/IUPAC Name]
Cyclohept[e]indene-2,6-dione, 3,3a,4,5,5a,9,10,10a-octahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (3aS,5aR,10aR)- [ACD/Index Name]
Cyathin T

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 160.2±25.7 °C
Index of Refraction: 1.532
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1391.01
ACD/KOC (pH 5.5): 6188.62
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1391.01
ACD/KOC (pH 7.4): 6188.62
Polar Surface Area: 34 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 283.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement