Found 6 results

Search term: HUZJLWLCLJEXEL (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,7S)-4-Isopropylidene-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one | C15H22O2

(1S,7S)-4-Isopropylidene-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID114937904

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,7S)-4-Isopropyliden-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-on [German] [ACD/IUPAC Name]
(1S,7S)-4-Isopropylidene-1-methyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one [ACD/IUPAC Name]
(1S,7S)-4-Isopropylidène-1-méthyl-7-(3-oxobutyl)bicyclo[4.1.0]heptan-3-one [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]heptan-3-one, 1-methyl-4-(1-methylethylidene)-7-(3-oxobutyl)-, (1S,7S)- [ACD/Index Name]
(1S,7S)-1-methyl-7-(3-oxobutyl)-4-(propan-2-ylidene)bicyclo[4.1.0]heptan-3-one
100347-96-4 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 343.7±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 128.9±16.3 °C
Index of Refraction: 1.506
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.11
ACD/KOC (pH 5.5): 934.19
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.11
ACD/KOC (pH 7.4): 934.19
Polar Surface Area: 34 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 226.1±3.0 cm3

Click to predict properties on the Chemicalize site


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