ChemSpider 2D Image | (1aR,2R,7aS,9aR)-5-(Hydroxymethyl)-2,9,9-trimethyl-3,4,9,9a-tetrahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one | C15H20O4

(1aR,2R,7aS,9aR)-5-(Hydroxymethyl)-2,9,9-trimethyl-3,4,9,9a-tetrahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID23354797

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1aR,2R,7aS,9aR)-5-(Hydroxymethyl)-2,9,9-trimethyl-3,4,9,9a-tetrahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-on [German] [ACD/IUPAC Name]
(1aR,2R,7aS,9aR)-5-(Hydroxymethyl)-2,9,9-trimethyl-3,4,9,9a-tetrahydro-8H-oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one [ACD/IUPAC Name]
(1aR,2R,7aS,9aR)-5-(Hydroxyméthyl)-2,9,9-triméthyl-3,4,9,9a-tétrahydro-8H-oxiréno[1,7a]indéno[3a,4-b]furan-6(2H)-one [French] [ACD/IUPAC Name]
8H-Oxireno[1,7a]indeno[3a,4-b]furan-6(2H)-one, 3,4,9,9a-tetrahydro-5-(hydroxymethyl)-2,9,9-trimethyl-, (1aR,2R,7aS,9aR)- [ACD/Index Name]
79232-33-0 [RN]
ALLIACOL B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 472.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.7±6.0 kJ/mol
Flash Point: 180.2±20.8 °C
Index of Refraction: 1.583
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.48
ACD/KOC (pH 5.5): 160.76
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.48
ACD/KOC (pH 7.4): 160.76
Polar Surface Area: 59 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 50.1±5.0 dyne/cm
Molar Volume: 203.2±5.0 cm3

Click to predict properties on the Chemicalize site


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