ChemSpider 2D Image | (4-{3-[4-(2-Ethoxyethoxy)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl]-3-hydroxy-1-propyn-1-yl}phenyl)(1-piperidinyl)methanone | C33H43NO4

(4-{3-[4-(2-Ethoxyethoxy)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl]-3-hydroxy-1-propyn-1-yl}phenyl)(1-piperidinyl)methanone

  • Molecular FormulaC33H43NO4
  • Average mass517.699 Da
  • Monoisotopic mass517.319214 Da
  • ChemSpider ID9607210

More details:

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

(4-{3-[4-(2-Éthoxyéthoxy)-5,5,8,8-tétraméthyl-5,6,7,8-tétrahydro-2-naphtalényl]-3-hydroxy-1-propyn-1-yl}phényl)(1-pipéridinyl)méthanone [French] [ACD/IUPAC Name]
(4-{3-[4-(2-Ethoxyethoxy)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl]-3-hydroxy-1-propyn-1-yl}phenyl)(1-piperidinyl)methanone [ACD/IUPAC Name]
(4-{3-[4-(2-Ethoxyethoxy)-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalinyl]-3-hydroxy-1-propin-1-yl}phenyl)(1-piperidinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [4-[3-[4-(2-ethoxyethoxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]-3-hydroxy-1-propyn-1-yl]phenyl]-1-piperidinyl- [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: 670.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 359.5±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.36
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 53879.24
ACD/KOC (pH 5.5): 84787.78
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 53878.41
ACD/KOC (pH 7.4): 84786.48
Polar Surface Area: 59 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 448.9±5.0 cm3

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