ChemSpider 2D Image | (1R,2S,5S,8R)-9-Isopropylidene-2,6-dimethyl-11-oxatricyclo[6.2.1.0~1,5~]undec-6-en-8-ol | C15H22O2

(1R,2S,5S,8R)-9-Isopropylidene-2,6-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID114816611

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,5S,8R)-9-Isopropyliden-2,6-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol [German] [ACD/IUPAC Name]
(1R,2S,5S,8R)-9-Isopropylidene-2,6-dimethyl-11-oxatricyclo[6.2.1.01,5]undec-6-en-8-ol [ACD/IUPAC Name]
(1R,2S,5S,8R)-9-Isopropylidène-2,6-diméthyl-11-oxatricyclo[6.2.1.01,5]undéc-6-én-8-ol [French] [ACD/IUPAC Name]
6H-3a,6-Epoxyazulen-6-ol, 1,2,3,4,5,8a-hexahydro-3,8-dimethyl-5-(1-methylethylidene)-, (3S,3aR,6R,8aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 349.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.8±6.0 kJ/mol
Flash Point: 146.7±22.1 °C
Index of Refraction: 1.553
Molar Refractivity: 67.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 50.35
ACD/KOC (pH 5.5): 575.29
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 50.35
ACD/KOC (pH 7.4): 575.28
Polar Surface Area: 29 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 40.0±5.0 dyne/cm
Molar Volume: 211.7±5.0 cm3

Click to predict properties on the Chemicalize site


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