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

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

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID58816095

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(10aR,10bS)-1-Isopropyl-3a,5a,8-trimethyl-3a,5,5a,6,9,10,10a,10b-octahydrocyclohepta[e]inden-3,4-dion [German] [ACD/IUPAC Name]
(10aR,10bS)-1-Isopropyl-3a,5a,8-trimethyl-3a,5,5a,6,9,10,10a,10b-octahydrocyclohepta[e]indene-3,4-dione [ACD/IUPAC Name]
(10aR,10bS)-1-Isopropyl-3a,5a,8-triméthyl-3a,5,5a,6,9,10,10a,10b-octahydrocyclohepta[e]indène-3,4-dione [French] [ACD/IUPAC Name]
Cyclohept[e]indene-3,4-dione, 3a,5,5a,6,9,10,10a,10b-octahydro-3a,5a,8-trimethyl-1-(1-methylethyl)-, (10aR,10bS)- [ACD/Index Name]
(3AR,5AR,10AR,10BS)-1-ISOPROPYL-3A,5A,8-TRIMETHYL-5H,6H,9H,10H,10AH,10BH-CYCLOHEPTA[E]INDENE-3,4-DIONE
(3AR,5AR,10AR,10BS)-3A,5A,8-TRIMETHYL-1-(PROPAN-2-YL)-3H,3AH,4H,5H,5AH,6H,9H,10H,10AH,10BH-CYCLOHEPTA[E]INDENE-3,4-DIONE
150998-99-5 [RN]
CYCLOHEPT[E]INDENE-3,4-DIONE,3A,5,5A,6,9,10,10A,10B-OCTAHYDRO-3A,5A,8-TRIMETHYL-1-(1-METHYLETHYL)-,(3AR,5AR,10AR,10BS)-

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

Density: 1.0±0.1 g/cm3
Boiling Point: 416.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 155.8±25.7 °C
Index of Refraction: 1.524
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1251.23
ACD/KOC (pH 5.5): 5736.83
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1251.23
ACD/KOC (pH 7.4): 5736.83
Polar Surface Area: 34 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 287.6±3.0 cm3

Click to predict properties on the Chemicalize site


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