ChemSpider 2D Image | (1S,2S,6S,9R)-10-Hydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.0~1,9~.0~2,6~]tridec-7-ene-8-carbaldehyde | C15H18O4

(1S,2S,6S,9R)-10-Hydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-ene-8-carbaldehyde

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID35518552

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1S,2S,6S,9R)-10-Hydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-en-8-carbaldehyd [German] [ACD/IUPAC Name]
(1S,2S,6S,9R)-10-Hydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-ene-8-carbaldehyde [ACD/IUPAC Name]
(1S,2S,6S,9R)-10-Hydroxy-4,4-diméthyl-12-oxo-11-oxatétracyclo[7.3.1.01,9.02,6]tridéc-7-ène-8-carbaldéhyde [French] [ACD/IUPAC Name]
3H,6H-3a,8b-Methano-1H-indeno[4,5-c]furan-4-carboxaldehyde, 5a,7,8,8a-tetrahydro-3-hydroxy-7,7-dimethyl-1-oxo-, (3aR,5aS,8aS,8bS)- [ACD/Index Name]
Marasmic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 187.7±22.2 °C
Index of Refraction: 1.600
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 50.79
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.70
ACD/KOC (pH 7.4): 50.78
Polar Surface Area: 64 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 195.0±5.0 cm3

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