ChemSpider 2D Image | (1R,2S,5R,8S,9S)-1-Hydroxy-4,4,8-trimethyltricyclo[6.3.1.0~2,5~]dodec-9-yl acetate | C17H28O3

(1R,2S,5R,8S,9S)-1-Hydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-yl acetate

  • Molecular FormulaC17H28O3
  • Average mass280.402 Da
  • Monoisotopic mass280.203857 Da
  • ChemSpider ID28424502

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,5R,8S,9S)-1-Hydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-yl acetate [ACD/IUPAC Name]
(1R,2S,5R,8S,9S)-1-Hydroxy-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-9-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,2S,5R,8S,9S)-1-hydroxy-4,4,8-triméthyltricyclo[6.3.1.02,5]dodéc-9-yle [French] [ACD/IUPAC Name]
Tricyclo[6.3.1.02,5]dodecane-1,9-diol, 4,4,8-trimethyl-, 9-acetate, (1R,2S,5R,8S,9S)- [ACD/Index Name]
[(1R,2S,5R,8S,9S)-1-hydroxy-4,4,8-trimethyl-9-tricyclo[6.3.1.02,5]dodecanyl] acetate
[155488-34-9] [RN]
1,9-Caryolanediol 9-acetate
155488-34-9 [RN]
MFCD20260756

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

Density: 1.1±0.1 g/cm3
Boiling Point: 353.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.3±6.0 kJ/mol
Flash Point: 135.3±18.7 °C
Index of Refraction: 1.521
Molar Refractivity: 78.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 572.10
ACD/KOC (pH 5.5): 3276.43
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 572.10
ACD/KOC (pH 7.4): 3276.43
Polar Surface Area: 47 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 256.0±5.0 cm3

Click to predict properties on the Chemicalize site


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