ChemSpider 2D Image | (3E)-1-Methoxy-3,4-didehydro-1,2,7',8',11',12'-hexahydro-psi,psi-carotene | C41H62O

(3E)-1-Methoxy-3,4-didehydro-1,2,7',8',11',12'-hexahydro-ψ,ψ-carotene

  • Molecular FormulaC41H62O
  • Average mass570.930 Da
  • Monoisotopic mass570.480042 Da
  • ChemSpider ID59700377

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1-Methoxy-3,4-didehydro-1,2,7',8',11',12'-hexahydro-ψ,ψ-carotene [ACD/IUPAC Name]
(3E)-1-Méthoxy-3,4-didéhydro-1,2,7',8',11',12'-hexahydro-ψ,ψ-carotène [French] [ACD/IUPAC Name]
(3E)-1-Methoxy-3,4-didehydro-1,2,7',8',11',12'-hexahydro-ψ,ψ-carotin [German] [ACD/IUPAC Name]
ψ,ψ-Carotene, 3,4-didehydro-1,2,7',8',11',12'-hexahydro-1-methoxy-, (3E)- [ACD/Index Name]
11',12'-Dihydrospheroidene
1-Methoxy-3,4-didehydro-1,2,7',8',11',12'-hexahydro-ψ,ψ-carotene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 661.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 343.1±13.2 °C
Index of Refraction: 1.516
Molar Refractivity: 193.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 14.38
ACD/LogD (pH 5.5): 12.90
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.90
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 76.6±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 640.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement