ChemSpider 2D Image | 1'-Hydroxytorulene | C40H56O

1'-Hydroxytorulene

  • Molecular FormulaC40H56O
  • Average mass552.872 Da
  • Monoisotopic mass552.433105 Da
  • ChemSpider ID30792007

  • Double-bond stereo - Double-bond stereo

More details:

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

(3'E)-3',4'-Didehydro-1',2'-dihydro-β,ψ-caroten-1'-ol [ACD/IUPAC Name]
(3'E)-3',4'-Didéhydro-1',2'-dihydro-β,ψ-carotén-1'-ol [French] [ACD/IUPAC Name]
(3'E)-3',4'-Didehydro-1',2'-dihydro-β,ψ-carotin-1'-ol [German] [ACD/IUPAC Name]
1'-Hydroxytorulene
β,ψ-Caroten-1'-ol, 3',4'-didehydro-1',2'-dihydro-, (3'E)- [ACD/Index Name]
1',2'-dihydro-1'-hydroxytorulene
1'-OH-torulene
3',4'-Didehydro-1',2'-dihydro-β,ψ-caroten-1'-ol
59122-37-1 [RN]
C15860
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 692.2±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.0±6.0 kJ/mol
Flash Point: 172.4±19.2 °C
Index of Refraction: 1.556
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 13.27
ACD/LogD (pH 5.5): 11.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 20 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 584.9±3.0 cm3

Click to predict properties on the Chemicalize site


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