ChemSpider 2D Image | (4aS,10E,12aS,12bR)-8-Hydroxy-4,4,12b-trimethyl-5-oxo-1,2,3,4,4a,5,7,8,9,12,12a,12b-dodecahydrocycloocta[a]naphthalene-10-carbaldehyde | C20H28O3

(4aS,10E,12aS,12bR)-8-Hydroxy-4,4,12b-trimethyl-5-oxo-1,2,3,4,4a,5,7,8,9,12,12a,12b-dodecahydrocycloocta[a]naphthalene-10-carbaldehyde

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID28485187

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4aS,10E,12aS,12bR)-8-Hydroxy-4,4,12b-triméthyl-5-oxo-1,2,3,4,4a,5,7,8,9,12,12a,12b-dodécahydrocycloocta[a]naphtalène-10-carbaldéhyde [French] [ACD/IUPAC Name]
(4aS,10E,12aS,12bR)-8-Hydroxy-4,4,12b-trimethyl-5-oxo-1,2,3,4,4a,5,7,8,9,12,12a,12b-dodecahydrocycloocta[a]naphthalene-10-carbaldehyde [ACD/IUPAC Name]
(4aS,10E,12aS,12bR)-8-Hydroxy-4,4,12b-trimethyl-5-oxo-1,2,3,4,4a,5,7,8,9,12,12a,12b-dodecahydrocycloocta[a]naphthalin-10-carbaldehyd [German] [ACD/IUPAC Name]
Cycloocta[a]naphthalene-10-carboxaldehyde, 1,2,3,4,4a,5,7,8,9,12,12a,12b-dodecahydro-8-hydroxy-4,4,12b-trimethyl-5-oxo-, (4aS,10E,12aS,12bR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 489.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.0±6.0 kJ/mol
Flash Point: 263.7±25.2 °C
Index of Refraction: 1.551
Molar Refractivity: 89.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 204.68
ACD/KOC (pH 5.5): 1569.91
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 204.68
ACD/KOC (pH 7.4): 1569.91
Polar Surface Area: 54 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 281.6±5.0 cm3

Click to predict properties on the Chemicalize site


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