ChemSpider 2D Image | (1R,3S,5E)-5-[(2Z)-2-{(1R,3aS,7aR)-1-[(2S)-7-Ethyl-7-hydroxy-2-nonanyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol | C30H50O3

(1R,3S,5E)-5-[(2Z)-2-{(1R,3aS,7aR)-1-[(2S)-7-Ethyl-7-hydroxy-2-nonanyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol

  • Molecular FormulaC30H50O3
  • Average mass458.716 Da
  • Monoisotopic mass458.376007 Da
  • ChemSpider ID26637750

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3S,5E)-5-[(2Z)-2-{(1R,3aS,7aR)-1-[(2S)-7-Ethyl-7-hydroxy-2-nonanyl]-7a-methyloctahydro-4H-inden-4-yliden}ethyliden]-4-methylen-1,3-cyclohexandiol [German] [ACD/IUPAC Name]
(1R,3S,5E)-5-[(2Z)-2-{(1R,3aS,7aR)-1-[(2S)-7-Ethyl-7-hydroxy-2-nonanyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylene-1,3-cyclohexanediol [ACD/IUPAC Name]
(1R,3S,5E)-5-[(2Z)-2-{(1R,3aS,7aR)-1-[(2S)-7-Éthyl-7-hydroxy-2-nonanyl]-7a-méthyloctahydro-4H-indén-4-ylidène}éthylidène]-4-méthylène-1,3-cyclohexanediol [French] [ACD/IUPAC Name]
1,3-Cyclohexanediol, 5-[(2Z)-2-[(1R,3aS,7aR)-1-[(1S)-6-ethyl-6-hydroxy-1-methyloctyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5E)- [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: 596.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.0±6.0 kJ/mol
Flash Point: 244.3±24.7 °C
Index of Refraction: 1.541
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.71
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 115844.31
ACD/KOC (pH 5.5): 146656.00
ACD/LogD (pH 7.4): 6.97
ACD/BCF (pH 7.4): 115844.31
ACD/KOC (pH 7.4): 146656.00
Polar Surface Area: 61 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 440.2±5.0 cm3

Click to predict properties on the Chemicalize site


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