ChemSpider 2D Image | (1S,6S,9R)-10-Hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.0~1,6~]tridecan-5-one | C15H24O5

(1S,6S,9R)-10-Hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-one

  • Molecular FormulaC15H24O5
  • Average mass284.348 Da
  • Monoisotopic mass284.162384 Da
  • ChemSpider ID27025739

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,6S,9R)-10-Hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-on [German] [ACD/IUPAC Name]
(1S,6S,9R)-10-Hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-one [ACD/IUPAC Name]
(1S,6S,9R)-10-Hydroxy-10-(hydroxyméthyl)-2,2,6-triméthyl-7,8-dioxatricyclo[7.3.1.01,6]tridécan-5-one [French] [ACD/IUPAC Name]
7H-3,6a-Methano-1,2-benzodioxocin-10(10aH)-one, hexahydro-4-hydroxy-4-(hydroxymethyl)-7,7,10a-trimethyl-, (3R,6aS,10aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 406.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.0±6.0 kJ/mol
Flash Point: 146.0±22.2 °C
Index of Refraction: 1.550
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.63
ACD/KOC (pH 5.5): 149.01
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 7.63
ACD/KOC (pH 7.4): 149.01
Polar Surface Area: 76 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 226.2±5.0 cm3

Click to predict properties on the Chemicalize site


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