ChemSpider 2D Image | (3aS,5R,7Z,9aS)-2-(3-Bromopropadienyl)-5-[(1S)-1-bromopropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocine | C15H20Br2O2

(3aS,5R,7Z,9aS)-2-(3-Bromopropadienyl)-5-[(1S)-1-bromopropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocine

  • Molecular FormulaC15H20Br2O2
  • Average mass392.126 Da
  • Monoisotopic mass389.983002 Da
  • ChemSpider ID29212314

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3aS,5R,7Z,9aS)-2-(3-Bromopropadienyl)-5-[(1S)-1-bromopropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocine [ACD/IUPAC Name]
(3aS,5R,7Z,9aS)-2-(3-Bromopropadiényl)-5-[(1S)-1-bromopropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocine [French] [ACD/IUPAC Name]
(3aS,5R,7Z,9aS)-2-(3-Brompropadienyl)-5-[(1S)-1-brompropyl]-3,3a,5,6,9,9a-hexahydro-2H-furo[3,2-b]oxocin [German] [ACD/IUPAC Name]
2H-Furo[3,2-b]oxocin, 2-(3-bromo-1,2-propadienyl)-5-[(1S)-1-bromopropyl]-3,3a,5,6,9,9a-hexahydro-, (3aS,5R,7Z,9aS)- [ACD/Index Name]
laurallene

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

Density: 1.5±0.1 g/cm3
Boiling Point: 437.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 181.3±27.2 °C
Index of Refraction: 1.575
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 736.73
ACD/KOC (pH 5.5): 3926.63
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 736.73
ACD/KOC (pH 7.4): 3926.63
Polar Surface Area: 18 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

Click to predict properties on the Chemicalize site


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