ChemSpider 2D Image | (1R,2R,5R,8S,9S)-2-[(5,5'-Diallyl-2'-hydroxy-2-biphenylyl)oxy]-4,4,8-trimethyltricyclo[6.3.1.0~1,5~]dodecan-9-ol | C33H42O3

(1R,2R,5R,8S,9S)-2-[(5,5'-Diallyl-2'-hydroxy-2-biphenylyl)oxy]-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol

  • Molecular FormulaC33H42O3
  • Average mass486.685 Da
  • Monoisotopic mass486.313385 Da
  • ChemSpider ID82965482

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,5R,8S,9S)-2-[(5,5'-Diallyl-2'-hydroxy-2-biphenylyl)oxy]-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol [German] [ACD/IUPAC Name]
(1R,2R,5R,8S,9S)-2-[(5,5'-Diallyl-2'-hydroxy-2-biphenylyl)oxy]-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol [ACD/IUPAC Name]
(1R,2R,5R,8S,9S)-2-[(5,5'-Diallyl-2'-hydroxy-2-biphénylyl)oxy]-4,4,8-triméthyltricyclo[6.3.1.01,5]dodécan-9-ol [French] [ACD/IUPAC Name]
3a,7-Methano-3aH-cyclopentacycloocten-6-ol, decahydro-3-[(2'-hydroxy-5,5'-di-2-propen-1-yl[1,1'-biphenyl]-2-yl)oxy]-1,1,7-trimethyl-, (3R,3aR,6S,7S,9aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 584.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 307.0±30.1 °C
Index of Refraction: 1.603
Molar Refractivity: 146.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.10
ACD/LogD (pH 5.5): 7.59
ACD/BCF (pH 5.5): 346327.81
ACD/KOC (pH 5.5): 321169.56
ACD/LogD (pH 7.4): 7.59
ACD/BCF (pH 7.4): 345493.41
ACD/KOC (pH 7.4): 320395.75
Polar Surface Area: 50 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 427.3±5.0 cm3

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