ChemSpider 2D Image | (1Z,4Z)-1-[(3s,5s,7s)-Adamantan-1-yloxy]-2-chloro-7-phenyl-1,4-heptadien-3-one | C23H27ClO2

(1Z,4Z)-1-[(3s,5s,7s)-Adamantan-1-yloxy]-2-chloro-7-phenyl-1,4-heptadien-3-one

  • Molecular FormulaC23H27ClO2
  • Average mass370.912 Da
  • Monoisotopic mass370.169952 Da
  • ChemSpider ID74102616

  • 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

(1Z,4Z)-1-[(3s,5s,7s)-Adamantan-1-yloxy]-2-chlor-7-phenyl-1,4-heptadien-3-on [German] [ACD/IUPAC Name]
(1Z,4Z)-1-[(3s,5s,7s)-Adamantan-1-yloxy]-2-chloro-7-phenyl-1,4-heptadien-3-one [ACD/IUPAC Name]
(1Z,4Z)-1-[(3s,5s,7s)-Adamantan-1-yloxy]-2-chloro-7-phényl-1,4-heptadién-3-one [French] [ACD/IUPAC Name]
1,4-Heptadien-3-one, 2-chloro-7-phenyl-1-(tricyclo[3.3.1.13,7]dec-1-yloxy)-, (1Z,4Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 538.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 191.7±29.1 °C
Index of Refraction: 1.586
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 5.85
ACD/BCF (pH 5.5): 16558.71
ACD/KOC (pH 5.5): 36438.99
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16558.71
ACD/KOC (pH 7.4): 36438.99
Polar Surface Area: 26 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 314.8±5.0 cm3

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