ChemSpider 2D Image | 5-(3-Furyl)-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate | C25H40O5S

5-(3-Furyl)-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate

  • Molecular FormulaC25H40O5S
  • Average mass452.647 Da
  • Monoisotopic mass452.259644 Da
  • ChemSpider ID24629899

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-Furanpentanol, β-[2-(1,2,3,4,4a,5,6,7-octahydro-1,2,5,5-tetramethyl-1-naphthalenyl)ethyl]-, hydrogen sulfate [ACD/Index Name]
5-(3-Furyl)-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalenyl)ethyl]pentyl hydrogen sulfate [ACD/IUPAC Name]
5-(3-Furyl)-2-[2-(1,2,5,5-tetramethyl-1,2,3,4,4a,5,6,7-octahydro-1-naphthalinyl)ethyl]pentylhydrogensulfat [German] [ACD/IUPAC Name]
Hydrogénosulfate de 5-(3-furyl)-2-[2-(1,2,5,5-tétraméthyl-1,2,3,4,4a,5,6,7-octahydro-1-naphtalényl)éthyl]pentyle [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 124.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.86
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 66.31
ACD/KOC (pH 5.5): 70.92
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 66.31
ACD/KOC (pH 7.4): 70.92
Polar Surface Area: 85 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

Click to predict properties on the Chemicalize site


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