ChemSpider 2D Image | (2S,4R)-2-[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]-4-methyl-1,3-dioxolane | C13H20O2

(2S,4R)-2-[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]-4-methyl-1,3-dioxolane

  • Molecular FormulaC13H20O2
  • Average mass208.297 Da
  • Monoisotopic mass208.146332 Da
  • ChemSpider ID34987646

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,4R)-2-[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]-4-methyl-1,3-dioxolan [German] [ACD/IUPAC Name]
(2S,4R)-2-[(4S)-4-Isopropenyl-1-cyclohexen-1-yl]-4-methyl-1,3-dioxolane [ACD/IUPAC Name]
(2S,4R)-2-[(4S)-4-Isopropényl-1-cyclohexén-1-yl]-4-méthyl-1,3-dioxolane [French] [ACD/IUPAC Name]
1,3-Dioxolane, 4-methyl-2-[(4S)-4-(1-methylethenyl)-1-cyclohexen-1-yl]-, (2S,4R)- [ACD/Index Name]
121199-28-8 [RN]
Perillaldehyde propyleneglycol acetal,
UNII-85A0D4PKKX

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

Density: 1.0±0.1 g/cm3
Boiling Point: 280.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 129.8±22.9 °C
Index of Refraction: 1.494
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.11
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 251.34
ACD/KOC (pH 5.5): 1818.48
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 251.34
ACD/KOC (pH 7.4): 1818.48
Polar Surface Area: 18 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 207.7±3.0 cm3

Click to predict properties on the Chemicalize site


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