ChemSpider 2D Image | (2E)-3-{4-[(3-Methyl-2-buten-1-yl)oxy]phenyl}-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-2-propen-1-one | C29H36O2

(2E)-3-{4-[(3-Methyl-2-buten-1-yl)oxy]phenyl}-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-2-propen-1-one

  • Molecular FormulaC29H36O2
  • Average mass416.595 Da
  • Monoisotopic mass416.271515 Da
  • ChemSpider ID26368406
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-3-{4-[(3-Méthyl-2-butén-1-yl)oxy]phényl}-1-(3,5,5,8,8-pentaméthyl-5,6,7,8-tétrahydro-2-naphtalényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-3-{4-[(3-Methyl-2-buten-1-yl)oxy]phenyl}-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-3-{4-[(3-Methyl-2-buten-1-yl)oxy]phenyl}-1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthalinyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 3-[4-[(3-methyl-2-buten-1-yl)oxy]phenyl]-1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-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: 558.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 208.0±23.7 °C
Index of Refraction: 1.554
Molar Refractivity: 132.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 10.05
ACD/LogD (pH 5.5): 8.38
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 861362.38
ACD/LogD (pH 7.4): 8.38
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 861362.38
Polar Surface Area: 26 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 413.2±3.0 cm3

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