ChemSpider 2D Image | 5-Hydroxy-4-{(1E,3E)-4-methyl-6-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]-1,3-hexadien-1-yl}-2(5H)-furanone | C25H36O3

5-Hydroxy-4-{(1E,3E)-4-methyl-6-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]-1,3-hexadien-1-yl}-2(5H)-furanone

  • Molecular FormulaC25H36O3
  • Average mass384.552 Da
  • Monoisotopic mass384.266449 Da
  • ChemSpider ID23339839

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2(5H)-Furanone, 4-[(1E,3E)-6-[(1R,2S,4aS,8aS)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]-4-methyl-1,3-hexadien-1-yl]-5-hydroxy- [ACD/Index Name]
5-Hydroxy-4-{(1E,3E)-4-methyl-6-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylendecahydro-1-naphthalinyl]-1,3-hexadien-1-yl}-2(5H)-furanon [German] [ACD/IUPAC Name]
5-Hydroxy-4-{(1E,3E)-4-méthyl-6-[(1R,2S,4aS,8aS)-1,2,4a-triméthyl-5-méthylènedécahydro-1-naphtalényl]-1,3-hexadién-1-yl}-2(5H)-furanone [French] [ACD/IUPAC Name]
5-Hydroxy-4-{(1E,3E)-4-methyl-6-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylenedecahydro-1-naphthalenyl]-1,3-hexadien-1-yl}-2(5H)-furanone [ACD/IUPAC Name]
5-hydroxy-4-{(1E,3E)-4-methyl-6-[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidenedecahydronaphthalen-1-yl]hexa-1,3-dien-1-yl}furan-2(5H)-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465035/
palauolide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.4±6.0 kJ/mol
Flash Point: 211.8±21.5 °C
Index of Refraction: 1.545
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.77
ACD/BCF (pH 5.5): 14361.44
ACD/KOC (pH 5.5): 32908.04
ACD/LogD (pH 7.4): 5.77
ACD/BCF (pH 7.4): 14289.42
ACD/KOC (pH 7.4): 32743.01
Polar Surface Area: 47 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 360.0±5.0 cm3

Click to predict properties on the Chemicalize site


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