ChemSpider 2D Image | rosmadial | C20H24O5

rosmadial

  • Molecular FormulaC20H24O5
  • Average mass344.402 Da
  • Monoisotopic mass344.162384 Da
  • ChemSpider ID23339134

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2'S,3R)-7-Hydroxy-6-isopropyl-3',3'-dimethyl-2-oxospiro[1-benzofuran-3,1'-cyclohexane]-2',4-dicarbaldehyd [German] [ACD/IUPAC Name]
(2'S,3R)-7-Hydroxy-6-isopropyl-3',3'-dimethyl-2-oxospiro[1-benzofuran-3,1'-cyclohexane]-2',4-dicarbaldehyde [ACD/IUPAC Name]
(2'S,3R)-7-Hydroxy-6-isopropyl-3',3'-diméthyl-2-oxospiro[1-benzofuran-3,1'-cyclohexane]-2',4-dicarbaldéhyde [French] [ACD/IUPAC Name]
85514-31-4 [RN]
rosmadial
Spiro[benzofuran-3(2H),1'-cyclohexane]-2',4-dicarboxaldehyde, 7-hydroxy-3',3'-dimethyl-6-(1-methylethyl)-2-oxo-, (2'S,3R)- [ACD/Index Name]
(2'S,3R)-7-hydroxy-3',3'-dimethyl-2-oxo-6-(propan-2-yl)spiro[1-benzofuran-3,1'-cyclohexane]-2',4-dicarbaldehyde
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494864/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 493.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 172.0±22.2 °C
Index of Refraction: 1.576
Molar Refractivity: 91.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 428.62
ACD/KOC (pH 5.5): 2552.20
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 35.90
ACD/KOC (pH 7.4): 213.74
Polar Surface Area: 81 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

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