ChemSpider 2D Image | laurefurenyne E | C15H21BrO3

laurefurenyne E

  • Molecular FormulaC15H21BrO3
  • Average mass329.229 Da
  • Monoisotopic mass328.067413 Da
  • ChemSpider ID95503913

  • 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

(1S,3R,4S,6S,7S,9S)-4-Brom-3-ethyl-9-[(2Z)-2-penten-4-in-1-yl]-2,8-dioxabicyclo[5.2.1]decan-6-ol [German] [ACD/IUPAC Name]
(1S,3R,4S,6S,7S,9S)-4-Bromo-3-ethyl-9-[(2Z)-2-penten-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]decan-6-ol [ACD/IUPAC Name]
(1S,3R,4S,6S,7S,9S)-4-Bromo-3-éthyl-9-[(2Z)-2-pentén-4-yn-1-yl]-2,8-dioxabicyclo[5.2.1]décan-6-ol [French] [ACD/IUPAC Name]
D-ido-Octitol, 1,7:5,8-dianhydro-2-bromo-2,3,6-trideoxy-1-C-ethyl-8-C-[(2Z)-2-penten-4-yn-1-yl]-, (1R,8S)- [ACD/Index Name]
laurefurenyne E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 425.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±6.0 kJ/mol
Flash Point: 211.1±28.7 °C
Index of Refraction: 1.526
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.06
ACD/KOC (pH 5.5): 597.34
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 53.06
ACD/KOC (pH 7.4): 597.34
Polar Surface Area: 39 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 253.9±3.0 cm3

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