ChemSpider 2D Image | (3aR,5aR,6S,10bS)-6-Hydroxy-1-isopropyl-3a,5a-dimethyl-3-oxo-3,3a,4,5,5a,6,7,10b-octahydrocyclohepta[e]indene-8-carbaldehyde | C20H26O3

(3aR,5aR,6S,10bS)-6-Hydroxy-1-isopropyl-3a,5a-dimethyl-3-oxo-3,3a,4,5,5a,6,7,10b-octahydrocyclohepta[e]indene-8-carbaldehyde

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID23285094

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,5aR,6S,10bS)-6-Hydroxy-1-isopropyl-3a,5a-dimethyl-3-oxo-3,3a,4,5,5a,6,7,10b-octahydrocyclohepta[e]inden-8-carbaldehyd [German] [ACD/IUPAC Name]
(3aR,5aR,6S,10bS)-6-Hydroxy-1-isopropyl-3a,5a-dimethyl-3-oxo-3,3a,4,5,5a,6,7,10b-octahydrocyclohepta[e]indene-8-carbaldehyde [ACD/IUPAC Name]
(3aR,5aR,6S,10bS)-6-Hydroxy-1-isopropyl-3a,5a-diméthyl-3-oxo-3,3a,4,5,5a,6,7,10b-octahydrocyclohepta[e]indène-8-carbaldéhyde [French] [ACD/IUPAC Name]
(3aR,5aR,6S,10bS)-6-hydroxy-3a,5a-dimethyl-3-oxo-1-(propan-2-yl)-3,3a,4,5,5a,6,7,10b-octahydrocyclohepta[e]indene-8-carbaldehyde
Cyclohept[e]indene-8-carboxaldehyde, 3,3a,4,5,5a,6,7,10b-octahydro-6-hydroxy-3a,5a-dimethyl-1-(1-methylethyl)-3-oxo-, (3aR,5aR,6S,10bS)- [ACD/Index Name]
14-hydroxy-1-oxo-cyatha-2,5(10),11-trien-12-carbaldehyde
Glaucopine C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL390567/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 486.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.7±6.0 kJ/mol
Flash Point: 262.3±25.2 °C
Index of Refraction: 1.565
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.24
ACD/KOC (pH 5.5): 866.63
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.24
ACD/KOC (pH 7.4): 866.63
Polar Surface Area: 54 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 274.8±5.0 cm3

Click to predict properties on the Chemicalize site


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