ChemSpider 2D Image | demethylspheroidene | C40H58O

demethylspheroidene

  • Molecular FormulaC40H58O
  • Average mass554.888 Da
  • Monoisotopic mass554.448792 Da
  • ChemSpider ID17220922

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3,4-Didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-1-ol [ACD/IUPAC Name]
(3E)-3,4-Didéhydro-1,2,7',8'-tétrahydro-ψ,ψ-carotén-1-ol [French] [ACD/IUPAC Name]
(3E)-3,4-Didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotin-1-ol [German] [ACD/IUPAC Name]
demethylspheroidene
ψ,ψ-Caroten-1-ol, 3,4-didehydro-1,2,7',8'-tetrahydro-, (3E)- [ACD/Index Name]
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-2-ol
3,4-Didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotene-1-ol
70303-34-3 [RN]
C15898
Demethylated spheroidene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 684.1±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 164.3±19.2 °C
Index of Refraction: 1.532
Molar Refractivity: 188.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 13.51
ACD/LogD (pH 5.5): 12.05
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.05
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 74.7±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 608.3±3.0 cm3

Click to predict properties on the Chemicalize site


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