ChemSpider 2D Image | (2E)-3-Methyl-5-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)-2-pentene-1,4-diol | C20H34O2

(2E)-3-Methyl-5-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)-2-pentene-1,4-diol

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID25045905
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(2E)-3-Méthyl-5-(2,5,5,8a-tétraméthyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphtalényl)-2-pentène-1,4-diol [French] [ACD/IUPAC Name]
(2E)-3-Methyl-5-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)-2-pentene-1,4-diol [ACD/IUPAC Name]
(2E)-3-Methyl-5-(2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalinyl)-2-penten-1,4-diol [German] [ACD/IUPAC Name]
2-Pentene-1,4-diol, 3-methyl-5-(1,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthalenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 417.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.5±6.0 kJ/mol
Flash Point: 180.9±17.8 °C
Index of Refraction: 1.503
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.29
ACD/BCF (pH 5.5): 6161.90
ACD/KOC (pH 5.5): 17958.48
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6161.90
ACD/KOC (pH 7.4): 17958.48
Polar Surface Area: 40 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 33.8±3.0 dyne/cm
Molar Volume: 315.3±3.0 cm3

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