ChemSpider 2D Image | (1S,6R,9S,10R)-10-Hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.0~1,6~]tridecan-5-one | C14H22O4

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

  • Molecular FormulaC14H22O4
  • Average mass254.322 Da
  • Monoisotopic mass254.151810 Da
  • ChemSpider ID28287642

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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(1S,6R,9S,10R)-10-Hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-on [German] [ACD/IUPAC Name]
(1S,6R,9S,10R)-10-Hydroxy-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-one [ACD/IUPAC Name]
(1S,6R,9S,10R)-10-Hydroxy-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-7,7,10a-trimethyl-, (3S,4R,6aS,10aR)- [ACD/Index Name]
steperoxide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 352.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 126.6±21.4 °C
Index of Refraction: 1.531
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.58
ACD/KOC (pH 5.5): 281.83
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.58
ACD/KOC (pH 7.4): 281.83
Polar Surface Area: 56 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 212.7±5.0 cm3

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