ChemSpider 2D Image | (2R,3S,4E)-2-[(1E)-1,3-Butadien-1-yl]-4-propylidenetetrahydro-3-furanol | C11H16O2

(2R,3S,4E)-2-[(1E)-1,3-Butadien-1-yl]-4-propylidenetetrahydro-3-furanol

  • Molecular FormulaC11H16O2
  • Average mass180.243 Da
  • Monoisotopic mass180.115036 Da
  • ChemSpider ID40256844

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S,4E)-2-[(1E)-1,3-Butadien-1-yl]-4-propylidenetetrahydro-3-furanol [ACD/IUPAC Name]
(2R,3S,4E)-2-[(1E)-1,3-Butadién-1-yl]-4-propylidènetétrahydro-3-furanol [French] [ACD/IUPAC Name]
(2R,3S,4E)-2-[(1E)-1,3-Butadien-1-yl]-4-propylidentetrahydro-3-furanol [German] [ACD/IUPAC Name]
3-Furanol, 2-[(1E)-1,3-butadien-1-yl]tetrahydro-4-propylidene-, (2R,3S,4E)- [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: 276.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.7±6.0 kJ/mol
Flash Point: 110.7±21.6 °C
Index of Refraction: 1.645
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.45
ACD/KOC (pH 5.5): 391.88
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.45
ACD/KOC (pH 7.4): 391.88
Polar Surface Area: 29 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 158.0±3.0 cm3

Click to predict properties on the Chemicalize site


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