ChemSpider 2D Image | trans-p-menthane-3,8-diol citronellal acetal | C20H36O2

trans-p-menthane-3,8-diol citronellal acetal

  • Molecular FormulaC20H36O2
  • Average mass308.499 Da
  • Monoisotopic mass308.271515 Da
  • ChemSpider ID26000629
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(2R,4aR,7R,8aR)-2-[(2S)-2,6-Dimethyl-5-hepten-1-yl]-4,4,7-trimethylhexahydro-4H-1,3-benzodioxin [German] [ACD/IUPAC Name]
(2R,4aR,7R,8aR)-2-[(2S)-2,6-Dimethyl-5-hepten-1-yl]-4,4,7-trimethylhexahydro-4H-1,3-benzodioxine [ACD/IUPAC Name]
(2R,4aR,7R,8aR)-2-[(2S)-2,6-Diméthyl-5-heptén-1-yl]-4,4,7-triméthylhexahydro-4H-1,3-benzodioxine [French] [ACD/IUPAC Name]
4H-1,3-Benzodioxin, 2-[(2S)-2,6-dimethyl-5-hepten-1-yl]hexahydro-4,4,7-trimethyl-, (2R,4aR,7R,8aR)- [ACD/Index Name]
trans-p-menthane-3,8-diol citronellal acetal
265670-36-8 [RN]
4H-1,3-Benzodioxin,2-[(2S)-2,6-dimethyl-5-hepten-1-yl]hexahydro-4,4,7-trimethyl-, (2R,4aR,7R,8aR)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 373.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 198.0±16.0 °C
Index of Refraction: 1.455
Molar Refractivity: 93.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 6.47
ACD/BCF (pH 5.5): 49128.96
ACD/KOC (pH 5.5): 79367.28
ACD/LogD (pH 7.4): 6.47
ACD/BCF (pH 7.4): 49128.96
ACD/KOC (pH 7.4): 79367.28
Polar Surface Area: 18 Å2
Polarizability: 37.2±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 345.8±3.0 cm3

Click to predict properties on the Chemicalize site






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