ChemSpider 2D Image | (2S,3S,4aR,6S,7S,8aR)-3-Bromo-7-chloro-2-ethyl-6-[(2Z)-2-penten-4-yn-1-yl]octahydropyrano[3,2-b]pyran | C15H20BrClO2

(2S,3S,4aR,6S,7S,8aR)-3-Bromo-7-chloro-2-ethyl-6-[(2Z)-2-penten-4-yn-1-yl]octahydropyrano[3,2-b]pyran

  • Molecular FormulaC15H20BrClO2
  • Average mass347.675 Da
  • Monoisotopic mass346.033508 Da
  • ChemSpider ID23076552

  • 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

(2S,3S,4aR,6S,7S,8aR)-3-Brom-7-chlor-2-ethyl-6-[(2Z)-2-penten-4-in-1-yl]octahydropyrano[3,2-b]pyran [German] [ACD/IUPAC Name]
(2S,3S,4aR,6S,7S,8aR)-3-Bromo-7-chloro-2-ethyl-6-[(2Z)-2-penten-4-yn-1-yl]octahydropyrano[3,2-b]pyran [ACD/IUPAC Name]
(2S,3S,4aR,6S,7S,8aR)-3-Bromo-7-chloro-2-éthyl-6-[(2Z)-2-pentén-4-yn-1-yl]octahydropyrano[3,2-b]pyrane [French] [ACD/IUPAC Name]
(2S,3S,4aR,6S,7S,8aR)-3-bromo-7-chloro-2-ethyl-6-[(2Z)-pent-2-en-4-yn-1-yl]octahydropyrano[3,2-b]pyran
Pyrano[3,2-b]pyran, 3-bromo-7-chloro-2-ethyloctahydro-6-[(2Z)-2-penten-4-yn-1-yl]-, (2S,3S,4aR,6S,7S,8aR)- [ACD/Index Name]
(3Z)-6:10,9:13-bisepoxy-12-bromo-7-chloropentadeca-3-en-1-yne
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL399126/
laurendecumenyne B

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

Density: 1.4±0.1 g/cm3
Boiling Point: 419.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 207.4±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 81.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 634.42
ACD/KOC (pH 5.5): 3528.13
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 634.42
ACD/KOC (pH 7.4): 3528.13
Polar Surface Area: 18 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 257.6±5.0 cm3

Click to predict properties on the Chemicalize site


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