ChemSpider 2D Image | (5E)-2-[3-(3-Furyl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethyl-2-cyclohexen-1-yl]-5-octen-1-yl hydrogen sulfate | C25H40O5S

(5E)-2-[3-(3-Furyl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethyl-2-cyclohexen-1-yl]-5-octen-1-yl hydrogen sulfate

  • Molecular FormulaC25H40O5S
  • Average mass452.647 Da
  • Monoisotopic mass452.259644 Da
  • ChemSpider ID25036978

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5E)-2-[3-(3-Furyl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethyl-2-cyclohexen-1-yl]-5-octen-1-yl hydrogen sulfate [ACD/IUPAC Name]
(5E)-2-[3-(3-Furyl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethyl-2-cyclohexen-1-yl]-5-octen-1-ylhydrogensulfat [German] [ACD/IUPAC Name]
3-Furanpentanol, β-[(3E)-4-methyl-6-[(1S,6R)-1,2,6-trimethyl-2-cyclohexen-1-yl]-3-hexen-1-yl]-, hydrogen sulfate [ACD/Index Name]
Hydrogénosulfate de (5E)-2-[3-(3-furyl)propyl]-6-méthyl-8-[(1S,6R)-1,2,6-triméthyl-2-cyclohexén-1-yl]-5-octén-1-yle [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: 1.510
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 9.07
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 45.60
ACD/KOC (pH 5.5): 54.24
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 45.60
ACD/KOC (pH 7.4): 54.24
Polar Surface Area: 85 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 421.0±3.0 cm3

Click to predict properties on the Chemicalize site


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