ChemSpider 2D Image | (13cis)-15,15'-Didehydro-beta,beta-carotene | C40H54

(13cis)-15,15'-Didehydro-β,β-carotene

  • Molecular FormulaC40H54
  • Average mass534.857 Da
  • Monoisotopic mass534.422546 Da
  • ChemSpider ID4941891

  • Double-bond stereo - Double-bond stereo

More details:

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

(13cis)-15,15'-Didehydro-β,β-carotene [ACD/IUPAC Name]
(13cis)-15,15'-Didéhydro-β,β-carotène [French] [ACD/IUPAC Name]
(13cis)-15,15'-Didehydro-β,β-carotin [German] [ACD/IUPAC Name]
β,β-Carotene, 15,15'-didehydro-, (13cis)- [ACD/Index Name]
1,3,3-TRIMETHYL-2-[(1E,3E,5E,7Z,11E,13E,15E,17E)-3,7,12,16-TETRAMETHYL-18-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)OCTADECA-1,3,5,7,11,13,15,17-OCTAEN-9-YN-1-YL]CYCLOHEX-1-ENE
15,15'-Dehydro-β-carotene
15,15'-Didehydro-β,β-carotene [ACD/IUPAC Name]
β,β-Carotene, 15,15'-didehydro- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 650.8±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 92.4±0.8 kJ/mol
Flash Point: 356.4±17.0 °C
Index of Refraction: 1.571
Molar Refractivity: 183.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 15.42
ACD/LogD (pH 5.5): 13.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 559.8±3.0 cm3

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