ChemSpider 2D Image | VETYNAL EXTRA | C17H28O2

VETYNAL EXTRA

  • Molecular FormulaC17H28O2
  • Average mass264.403 Da
  • Monoisotopic mass264.208923 Da
  • ChemSpider ID32815051

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,2S,5R,8S)-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl acetate [ACD/IUPAC Name]
(1R,2S,5R,8S)-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodec-1-yl-acetat [German] [ACD/IUPAC Name]
?-caryophyllene alcohol acetate
260-555-1 [EINECS]
57082-24-3 [RN]
Acétate de (1R,2S,5R,8S)-4,4,8-triméthyltricyclo[6.3.1.02,5]dodéc-1-yle [French] [ACD/IUPAC Name]
Caryophyllene acetate
Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-, acetate, (1R,2S,5R,8S)- [ACD/Index Name]
VETYNAL EXTRA
(1R,2S,5R,8S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl acetate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

07YBE5FZ9M [DBID]
UNII:07YBE5FZ9M [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 295.9±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.6±3.0 kJ/mol
Flash Point: 139.2±6.0 °C
Index of Refraction: 1.505
Molar Refractivity: 76.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.70
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 6412.87
ACD/KOC (pH 5.5): 18479.05
ACD/LogD (pH 7.4): 5.31
ACD/BCF (pH 7.4): 6412.87
ACD/KOC (pH 7.4): 18479.05
Polar Surface Area: 26 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 36.2±5.0 dyne/cm
Molar Volume: 258.0±5.0 cm3

Click to predict properties on the Chemicalize site


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