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Search term: 29214512 (Found by CSID)
ChemSpider 2D Image | (5E)-2-Methyl-5-[(1R,5R)-2-methylene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid | C15H18O4

(5E)-2-Methyl-5-[(1R,5R)-2-methylene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID29214512

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(5E)-2-Methyl-5-[(1R,5R)-2-methylen-7-oxobicyclo[3.2.1]oct-6-yliden]-4-oxopentansäure [German] [ACD/IUPAC Name]
(5E)-2-Methyl-5-[(1R,5R)-2-methylene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid [ACD/IUPAC Name]
Acide (5E)-2-méthyl-5-[(1R,5R)-2-méthylène-7-oxobicyclo[3.2.1]oct-6-ylidène]-4-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 2-methyl-5-[(1R,5R)-2-methylene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxo-, (5E)- [ACD/Index Name]
(5E)-2-methyl-5-[(1'R*,5'R*)-2-methylidene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 460.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 246.2±23.3 °C
Index of Refraction: 1.543
Molar Refractivity: 68.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.85
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 71 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

Click to predict properties on the Chemicalize site


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