Found 1 result

Search term: 78441121 (Found by CSID)
ChemSpider 2D Image | (4S)-4-{(1E)-1-[(2S)-4,4-Dimethyl-2-vinylcyclopentylidene]-2-hydroxyethyl}dihydro-2(3H)-furanone | C15H22O3

(4S)-4-{(1E)-1-[(2S)-4,4-Dimethyl-2-vinylcyclopentylidene]-2-hydroxyethyl}dihydro-2(3H)-furanone

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID78441121

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4S)-4-{(1E)-1-[(2S)-4,4-Dimethyl-2-vinylcyclopentyliden]-2-hydroxyethyl}dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(4S)-4-{(1E)-1-[(2S)-4,4-Dimethyl-2-vinylcyclopentylidene]-2-hydroxyethyl}dihydro-2(3H)-furanone [ACD/IUPAC Name]
(4S)-4-{(1E)-1-[(2S)-4,4-Diméthyl-2-vinylcyclopentylidène]-2-hydroxyéthyl}dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 4-[(1E)-1-[(2S)-2-ethenyl-4,4-dimethylcyclopentylidene]-2-hydroxyethyl]dihydro-, (4S)- [ACD/Index Name]
Conocenolide 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: 399.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 165.6±20.7 °C
Index of Refraction: 1.567
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 58.13
ACD/KOC (pH 5.5): 637.65
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 58.13
ACD/KOC (pH 7.4): 637.65
Polar Surface Area: 47 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 219.7±3.0 cm3

Click to predict properties on the Chemicalize site


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