ChemSpider 2D Image | (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-{(5R)-5-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-2,6,6-trimethyl-1-cyclohexen-1-yl}-2,6,10,14,19,23-hexamethyl-3-(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,1 6,18,20,22,24-pentacosaundecaen-2-ol (non-preferred name) | C50H72O2

(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-{(5R)-5-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-2,6,6-trimethyl-1-cyclohexen-1-yl}-2,6,10,14,19,23-hexamethyl-3-(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,1 6,18,20,22,24-pentacosaundecaen-2-ol (non-preferred name)

  • Molecular FormulaC50H72O2
  • Average mass705.106 Da
  • Monoisotopic mass704.553223 Da
  • ChemSpider ID10389062

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-{(5R)-5-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-2,6,6-trimethyl-1-cyclohexen-1-yl}-2,6,10,14,19,23-hexamethyl-3-(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,1 6,18,20,22,24-pentacosaundecaen-2-ol (non-preferred name) [German] [ACD/IUPAC Name]
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-{(5R)-5-[(2E)-4-Hydroxy-3-methyl-2-buten-1-yl]-2,6,6-trimethyl-1-cyclohexen-1-yl}-2,6,10,14,19,23-hexamethyl-3-(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,1 6,18,20,22,24-pentacosaundecaen-2-ol (non-preferred name) [ACD/IUPAC Name]
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-{(5R)-5-[(2E)-4-Hydroxy-3-méthyl-2-butén-1-yl]-2,6,6-triméthyl-1-cyclohexén-1-yl}-2,6,10,14,19,23-hexaméthyl-3-(3-méthyl-2-butén-1-yl)-4,6,8,10,12,14,1 6,18,20,22,24-pentacosaundécaén-2-ol (non-preferred name) [French] [ACD/IUPAC Name]
(2R,2'S)-2-(4-Hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-3',4'-didehydro-1',2'-dihydro-β,ψ-caroten-1'-ol
C.p.473

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

Density: 1.0±0.0 g/cm3
Boiling Point: 807.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 133.7±0.0 kJ/mol
Flash Point: 284.4±0.0 °C
Index of Refraction: 1.551
Molar Refractivity: 235.7±0.0 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 15.73
ACD/LogD (pH 5.5): 15.73
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 15.73
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 93.5±0.0 10-24cm3
Surface Tension: 36.7±0.0 dyne/cm
Molar Volume: 739.3±0.0 cm3

Click to predict properties on the Chemicalize site


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