ChemSpider 2D Image | 6,8-Dihydroxy-2,14,14-trimethyl-7-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.0~2,11~.0~4,9~]pentadeca-4,6,8-triene-5-carbaldehyde | C23H30O5

6,8-Dihydroxy-2,14,14-trimethyl-7-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-triene-5-carbaldehyde

  • Molecular FormulaC23H30O5
  • Average mass386.481 Da
  • Monoisotopic mass386.209320 Da
  • ChemSpider ID95641517

More details:

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

2,4-Methano-1H-xanthene-5-carboxaldehyde, 2,3,4,4a,9,9a-hexahydro-6,8-dihydroxy-3,3,4a-trimethyl-7-(3-methyl-1-oxobutyl)- [ACD/Index Name]
6,8-Dihydroxy-2,14,14-trimethyl-7-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-trien-5-carbaldehyd [German] [ACD/IUPAC Name]
6,8-Dihydroxy-2,14,14-trimethyl-7-(3-methylbutanoyl)-3-oxatetracyclo[11.1.1.02,11.04,9]pentadeca-4,6,8-triene-5-carbaldehyde [ACD/IUPAC Name]
6,8-Dihydroxy-2,14,14-triméthyl-7-(3-méthylbutanoyl)-3-oxatétracyclo[11.1.1.02,11.04,9]pentadéca-4,6,8-triène-5-carbaldéhyde [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 170.6±23.6 °C
Index of Refraction: 1.584
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.73
ACD/LogD (pH 5.5): 7.12
ACD/BCF (pH 5.5): 111685.92
ACD/KOC (pH 5.5): 99215.53
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 397.68
ACD/KOC (pH 7.4): 353.27
Polar Surface Area: 84 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 321.2±3.0 cm3

Click to predict properties on the Chemicalize site


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