ChemSpider 2D Image | neo-Crotocembranal | C20H30O

neo-Crotocembranal

  • Molecular FormulaC20H30O
  • Average mass286.452 Da
  • Monoisotopic mass286.229675 Da
  • ChemSpider ID9002394
  • Double-bond stereo - Double-bond stereo


More details:






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

(1E,5E,9E,11E)-12-Isopropyl-5,9-dimethyl-1,5,9,11-cyclotetradecatetraen-1-carbaldehyd [German] [ACD/IUPAC Name]
(1E,5E,9E,11E)-12-Isopropyl-5,9-dimethyl-1,5,9,11-cyclotetradecatetraene-1-carbaldehyde [ACD/IUPAC Name]
(1E,5E,9E,11E)-12-Isopropyl-5,9-diméthyl-1,5,9,11-cyclotétradécatétraène-1-carbaldéhyde [French] [ACD/IUPAC Name]
1,5,9,11-Cyclotetradecatetraene-1-carboxaldehyde, 5,9-dimethyl-12-(1-methylethyl)-, (1E,5E,9E,11E)- [ACD/Index Name]
neo-Crotocembranal
(1E,3E,7E,11E)-1-isopropyl-4,8-dimethylcyclotetradeca-1,3,7,11-tetraene-12-carboxaldehyde
(1E,5E,9E,11E)-5,9-dimethyl-12-(propan-2-yl)cyclotetradeca-1,5,9,11-tetraene-1-carbaldehyde

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 415.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 177.0±23.7 °C
Index of Refraction: 1.507
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 49334.75
ACD/KOC (pH 5.5): 79605.10
ACD/LogD (pH 7.4): 6.48
ACD/BCF (pH 7.4): 49334.75
ACD/KOC (pH 7.4): 79605.10
Polar Surface Area: 17 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 32.3±3.0 dyne/cm
Molar Volume: 312.2±3.0 cm3

Click to predict properties on the Chemicalize site






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