ChemSpider 2D Image | 3,4-Didehydrorhodopin | C40H56O

3,4-Didehydrorhodopin

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID17220920

  • 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-dihydro-ψ,ψ-caroten-1-ol [ACD/IUPAC Name]
(3E)-3,4-Didéhydro-1,2-dihydro-ψ,ψ-carotén-1-ol [French] [ACD/IUPAC Name]
(3E)-3,4-Didehydro-1,2-dihydro-ψ,ψ-carotin-1-ol [German] [ACD/IUPAC Name]
(3E)-3,4-didehydrorhodopin
3,4-Didehydrorhodopin
ψ,ψ-Caroten-1-ol, 3,4-didehydro-1,2-dihydro-, (3E)- [ACD/Index Name]
(3E)-3,4-dehydrorhodopin
(3E)-3,4-didehydro-1,2-dihydro-1-hydroxy-ψ,ψ-carotene
(4E,6E,8S,10E,12E,14E,16E,18E,20Z,22Z,24Z,26Z)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-2-ol
1-hydroxy-3,4-didehydro-1,2-dihydrolycopene
More...
  • Miscellaneous

    • Chemical Class:

      A carotenol having the structure of rhodopin with two hydrogen atoms abstracted from the C(3)<bond>1</bond>C(4) bond to form an extra <stereo>trans</stereo> double bond. ChEBI CHEBI:62481
      A carotenol having the structure of rhodopin with two hydrogen atoms abstracted from the C(3)1C(4) bond to form an extra trans double bond. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:62481
      A carotenol having the structure of rhodopin with two hydrogen atoms abstracted from the C(3)-C(4) bond to form an extra trans double bond. ChEBI CHEBI:62481

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

Density: 0.9±0.1 g/cm3
Boiling Point: 695.0±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 170.9±19.2 °C
Index of Refraction: 1.539
Molar Refractivity: 188.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 13.11
ACD/LogD (pH 5.5): 11.28
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.28
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: 33.0±3.0 dyne/cm
Molar Volume: 602.0±3.0 cm3

Click to predict properties on the Chemicalize site


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