ChemSpider 2D Image | (3E,3'E,15cis)-1,1'-Dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-psi,psi-carotene | C42H60O2

(3E,3'E,15cis)-1,1'-Dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene

  • Molecular FormulaC42H60O2
  • Average mass596.925 Da
  • Monoisotopic mass596.459351 Da
  • ChemSpider ID4450231
  • Double-bond stereo - Double-bond stereo


More details:






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

(3E,3'E,15cis)-1,1'-Dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene [ACD/IUPAC Name]
(3E,3'E,15cis)-1,1'-Diméthoxy-3,3',4,4'-tétradéhydro-1,1',2,2'-tétrahydro-ψ,ψ-carotène [French] [ACD/IUPAC Name]
(3E,3'E,15cis)-1,1'-Dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotin [German] [ACD/IUPAC Name]
ψ,ψ-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxy-, (3E,3'E,15cis)- [ACD/Index Name]
CRT
Rhodoviolascin
spirilloxanthin

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

Density: 0.9±0.1 g/cm3
Boiling Point: 701.1±53.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 163.3±26.7 °C
Index of Refraction: 1.527
Molar Refractivity: 199.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 12.31
ACD/LogD (pH 5.5): 10.80
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.80
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 18 Å2
Polarizability: 79.2±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 650.4±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement