ChemSpider 2D Image | (1S,7S,9S)-12-Hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.0~1,9~.0~3,7~]tridec-2-ene-2-carbaldehyde | C15H18O4

(1S,7S,9S)-12-Hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-ene-2-carbaldehyde

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID28514174

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,7S,9S)-12-Hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-en-2-carbaldehyd [German] [ACD/IUPAC Name]
(1S,7S,9S)-12-Hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]tridec-2-ene-2-carbaldehyde [ACD/IUPAC Name]
(1S,7S,9S)-12-Hydroxy-5,5-diméthyl-10-oxo-11-oxatétracyclo[7.3.1.01,9.03,7]tridéc-2-ène-2-carbaldéhyde [French] [ACD/IUPAC Name]
3H,4H-3a,8a-Methano-1H-indeno[5,6-c]furan-8-carboxaldehyde, 4a,5,6,7-tetrahydro-1-hydroxy-6,6-dimethyl-3-oxo-, (3aS,4aS,8aS)- [ACD/Index Name]
159736-40-0 [RN]
3H,5H-3a,8a-Methano-1H-indeno[5,6-c]furan-4-carboxaldehyde,6,7,7a,8-tetrahydro-3-hydroxy-6,6-dimethyl-1-oxo-, (3R,3aS,7aS,8aS)- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 497.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.1±6.0 kJ/mol
Flash Point: 191.8±22.2 °C
Index of Refraction: 1.601
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 3.01
ACD/KOC (pH 5.5): 76.59
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 3.01
ACD/KOC (pH 7.4): 76.57
Polar Surface Area: 64 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 194.2±5.0 cm3

Click to predict properties on the Chemicalize site


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