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Search term: GBTIXNCCLOMTCN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (3S,4R,5S)-1,1-Dibromo-4-(methoxymethoxy)-3,5-dimethyl-1-heptene | C11H20Br2O2

(3S,4R,5S)-1,1-Dibromo-4-(methoxymethoxy)-3,5-dimethyl-1-heptene

  • Molecular FormulaC11H20Br2O2
  • Average mass344.083 Da
  • Monoisotopic mass341.983002 Da
  • ChemSpider ID24607078
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S,4R,5S)-1,1-Dibrom-4-(methoxymethoxy)-3,5-dimethyl-1-hepten [German] [ACD/IUPAC Name]
(3S,4R,5S)-1,1-Dibromo-4-(methoxymethoxy)-3,5-dimethyl-1-heptene [ACD/IUPAC Name]
(3S,4R,5S)-1,1-Dibromo-4-(méthoxyméthoxy)-3,5-diméthyl-1-heptène [French] [ACD/IUPAC Name]
1-Heptene, 1,1-dibromo-4-(methoxymethoxy)-3,5-dimethyl-, (3S,4R,5S)- [ACD/Index Name]
(3S,4R,5S)-1,1-DIBROMO-3,5-DIMETHYL-4-METHOXYMETHOXY-1-HEPTENE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 310.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.0±3.0 kJ/mol
Flash Point: 125.3±26.4 °C
Index of Refraction: 1.500
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1095.87
ACD/KOC (pH 5.5): 5217.46
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1095.87
ACD/KOC (pH 7.4): 5217.46
Polar Surface Area: 18 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 243.7±3.0 cm3

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