ChemSpider 2D Image | (1E,3S,5S)-1,7-Diphenyl-1-heptene-3,5-diol | C19H22O2

(1E,3S,5S)-1,7-Diphenyl-1-heptene-3,5-diol

  • Molecular FormulaC19H22O2
  • Average mass282.377 Da
  • Monoisotopic mass282.161987 Da
  • ChemSpider ID24640632

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1E,3S,5S)-1,7-Diphenyl-1-hepten-3,5-diol [German] [ACD/IUPAC Name]
(1E,3S,5S)-1,7-Diphenyl-1-heptene-3,5-diol [ACD/IUPAC Name]
(1E,3S,5S)-1,7-Diphényl-1-heptène-3,5-diol [French] [ACD/IUPAC Name]
1-Heptene-3,5-diol, 1,7-diphenyl-, (1E,3S,5S)- [ACD/Index Name]
(3S,5S)-trans-3,5-Dihydroxy-1,7-diphenyl-1-heptene
(3S,5S,E)-1,7-Diphenylhept-1-ene-3,5-diol
(E,3S,5S)-1,7-diphenylhept-1-ene-3,5-diol
232261-31-3 [RN]
87095-75-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 485.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.1±3.0 kJ/mol
Flash Point: 226.4±23.3 °C
Index of Refraction: 1.614
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 224.85
ACD/KOC (pH 5.5): 1679.19
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.85
ACD/KOC (pH 7.4): 1679.19
Polar Surface Area: 40 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 252.9±3.0 cm3

Click to predict properties on the Chemicalize site


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