ChemSpider 2D Image | (2E)-3-[(2S)-4,4-Dimethyl-7-oxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl]-2-butenoic acid | C15H20O3

(2E)-3-[(2S)-4,4-Dimethyl-7-oxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl]-2-butenoic acid

  • Molecular FormulaC15H20O3
  • Average mass248.318 Da
  • Monoisotopic mass248.141251 Da
  • ChemSpider ID29355815

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(2E)-3-[(2S)-4,4-Dimethyl-7-oxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl]-2-butenoic acid [ACD/IUPAC Name]
(2E)-3-[(2S)-4,4-Dimethyl-7-oxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl]-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 3-[(2S)-2,3,4,5,6,7-hexahydro-4,4-dimethyl-7-oxo-1H-inden-2-yl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[(2S)-4,4-diméthyl-7-oxo-2,3,4,5,6,7-hexahydro-1H-indén-2-yl]-2-buténoïque [French] [ACD/IUPAC Name]
phellilin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.4±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±6.0 kJ/mol
Flash Point: 232.4±19.4 °C
Index of Refraction: 1.541
Molar Refractivity: 68.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 30.88
ACD/KOC (pH 5.5): 265.68
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.51
Polar Surface Area: 54 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 43.4±5.0 dyne/cm
Molar Volume: 217.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement