ChemSpider 2D Image | (3aS,6E,10E,11aR)-10-(Hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde | C15H18O4

(3aS,6E,10E,11aR)-10-(Hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID57641926
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aS,6E,10E,11aR)-10-(Hydroxymethyl)-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyd [German] [ACD/IUPAC Name]
(3aS,6E,10E,11aR)-10-(Hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carbaldehyde [ACD/IUPAC Name]
(3aS,6E,10E,11aR)-10-(Hydroxyméthyl)-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furane-6-carbaldéhyde [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-6-carboxaldehyde, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxo-, (3aS,6E,10E,11aR)- [ACD/Index Name]
84807-53-4 [RN]
Cyclodeca[b]furan-6-carboxaldehyde, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-3-methylene-2-oxo-, [3aS-(3aR*,6E,10Z,11aS*)]- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 510.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.9±6.0 kJ/mol
Flash Point: 193.9±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 70.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 16.13
ACD/KOC (pH 5.5): 254.69
ACD/LogD (pH 7.4): 1.89
ACD/BCF (pH 7.4): 16.13
ACD/KOC (pH 7.4): 254.69
Polar Surface Area: 64 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 219.0±5.0 cm3

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