ChemSpider 2D Image | (1S,3R,6S,9Z)-3-Bromo-9-(bromomethylene)-1,5,5-trimethylspiro[5.5]undec-7-en-1-ol | C15H22Br2O

(1S,3R,6S,9Z)-3-Bromo-9-(bromomethylene)-1,5,5-trimethylspiro[5.5]undec-7-en-1-ol

  • Molecular FormulaC15H22Br2O
  • Average mass378.143 Da
  • Monoisotopic mass376.003723 Da
  • ChemSpider ID29212484

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3R,6S,9Z)-3-Brom-9-(brommethylen)-1,5,5-trimethylspiro[5.5]undec-7-en-1-ol [German] [ACD/IUPAC Name]
(1S,3R,6S,9Z)-3-Bromo-9-(bromomethylene)-1,5,5-trimethylspiro[5.5]undec-7-en-1-ol [ACD/IUPAC Name]
(1S,3R,6S,9Z)-3-Bromo-9-(bromométhylène)-1,5,5-triméthylspiro[5.5]undéc-7-én-1-ol [French] [ACD/IUPAC Name]
Spiro[5.5]undec-7-en-1-ol, 3-bromo-9-(bromomethylene)-1,5,5-trimethyl-, (1S,3R,6S,9Z)- [ACD/Index Name]
E-bromochamigrene

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

Density: 1.5±0.1 g/cm3
Boiling Point: 412.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±6.0 kJ/mol
Flash Point: 203.1±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3849.92
ACD/KOC (pH 5.5): 12825.07
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3849.92
ACD/KOC (pH 7.4): 12825.07
Polar Surface Area: 20 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 251.0±5.0 cm3

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