Found 164 results

Search term: MF = 'C_{35}H_{40}N_{4}O'
ChemSpider 2D Image | (2E,6E)-2,6-Bis[(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-methylcyclohexanone | C35H40N4O

(2E,6E)-2,6-Bis[(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-methylcyclohexanone

  • Molecular FormulaC35H40N4O
  • Average mass532.718 Da
  • Monoisotopic mass532.320190 Da
  • ChemSpider ID22947341

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E)-2,6-Bis[(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)methylen]-4-methylcyclohexanon [German] [ACD/IUPAC Name]
(2E,6E)-2,6-Bis[(3-isobutyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-methylcyclohexanone [ACD/IUPAC Name]
(2E,6E)-2,6-Bis[(3-isobutyl-1-phényl-1H-pyrazol-4-yl)méthylène]-4-méthylcyclohexanone [French] [ACD/IUPAC Name]
Cyclohexanone, 4-methyl-2,6-bis[[3-(2-methylpropyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-, (2E,6E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 692.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.7±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 165.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 10.04
ACD/LogD (pH 5.5): 7.99
ACD/BCF (pH 5.5): 693609.44
ACD/KOC (pH 5.5): 528006.88
ACD/LogD (pH 7.4): 7.99
ACD/BCF (pH 7.4): 693611.75
ACD/KOC (pH 7.4): 528008.63
Polar Surface Area: 53 Å2
Polarizability: 65.4±0.5 10-24cm3
Surface Tension: 41.2±7.0 dyne/cm
Molar Volume: 476.5±7.0 cm3

Click to predict properties on the Chemicalize site


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