ChemSpider 2D Image | (1'R,6'R)-3-(Benzylamino)-6-hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triene-2,5-dione | C28H35NO3

(1'R,6'R)-3-(Benzylamino)-6-hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triene-2,5-dione

  • Molecular FormulaC28H35NO3
  • Average mass433.582 Da
  • Monoisotopic mass433.261688 Da
  • ChemSpider ID78317727

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1'R,6'R)-3-(Benzylamino)-6-hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexan)-2',3,6-trien-2,5-dion [German] [ACD/IUPAC Name]
(1'R,6'R)-3-(Benzylamino)-6-hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triene-2,5-dione [ACD/IUPAC Name]
(1'R,6'R)-3-(Benzylamino)-6-hydroxy-6'-isopropényl-3'-méthyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triène-2,5-dione [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 2-hydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-6-pentyl-5-[(phenylmethyl)amino]- [ACD/Index Name]
1818428-24-8 [RN]
5-(benzylamino)-4-hydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylcyclohexa-3,5-diene-1,2-dione
EHP-101
Ktjciknf3F
VCE-?004.8

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

Density: 1.1±0.1 g/cm3
Boiling Point: 588.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.8±30.1 °C
Index of Refraction: 1.579
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 8.43
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 2011.54
ACD/KOC (pH 5.5): 2072.59
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 100.19
ACD/KOC (pH 7.4): 103.23
Polar Surface Area: 66 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 385.4±5.0 cm3

Click to predict properties on the Chemicalize site


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