ChemSpider 2D Image | (1S,3R,4S,6R,8R,10R)-4-Bromo-3-ethyl-8-[(2Z)-2-penten-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]dec-10-yl hydroperoxide | C15H21BrO4

(1S,3R,4S,6R,8R,10R)-4-Bromo-3-ethyl-8-[(2Z)-2-penten-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]dec-10-yl hydroperoxide

  • Molecular FormulaC15H21BrO4
  • Average mass345.229 Da
  • Monoisotopic mass344.062317 Da
  • ChemSpider ID23310180

  • 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,6R,8R,10R)-4-Brom-3-ethyl-8-[(2Z)-2-penten-4-in-1-yl]-2,7-dioxabicyclo[4.2.2]dec-10-ylhydroperoxid [German] [ACD/IUPAC Name]
(1S,3R,4S,6R,8R,10R)-4-Bromo-3-ethyl-8-[(2Z)-2-penten-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]dec-10-yl hydroperoxide [ACD/IUPAC Name]
(1S,3R,4S,6R,8R,10R)-4-bromo-3-ethyl-8-[(2Z)-pent-2-en-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]dec-10-yl hydroperoxide (non-preferred name)
Hydroperoxyde de (1S,3R,4S,6R,8R,10R)-4-bromo-3-éthyl-8-[(2Z)-2-pentén-4-yn-1-yl]-2,7-dioxabicyclo[4.2.2]déc-10-yle [French] [ACD/IUPAC Name]
(3Z)-6:10,7:13-bisepoxy-12-bromo-9-hydroperoxylpentadeca-3-en-1-yne
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL437203/
laurendecumenyne A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 449.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 81.7±6.0 kJ/mol
Flash Point: 225.4±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 79.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.58
ACD/KOC (pH 5.5): 1469.22
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.57
ACD/KOC (pH 7.4): 1469.18
Polar Surface Area: 48 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 249.7±5.0 cm3

Click to predict properties on the Chemicalize site


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