Found 5 results

Search term: ASARKQYWKHIYKN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,5S,11S,15S)-15-Acetyl-5-isopropenyl-10-oxatetracyclo[9.3.1.0~2,7~.0~8,12~]pentadecane-3,9,14-trione | C19H22O5

(1S,5S,11S,15S)-15-Acetyl-5-isopropenyl-10-oxatetracyclo[9.3.1.02,7.08,12]pentadecane-3,9,14-trione

  • Molecular FormulaC19H22O5
  • Average mass330.375 Da
  • Monoisotopic mass330.146729 Da
  • ChemSpider ID24534517

  • defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(1S,5S,11S,15S)-15-Acetyl-5-(prop-1-en-2-yl)-10-oxatetracyclo[9.3.1.02,7.08,12]pentadecane-3,9,14-trione
(1S,5S,11S,15S)-15-Acetyl-5-isopropenyl-10-oxatetracyclo[9.3.1.02,7.08,12]pentadecan-3,9,14-trion [German] [ACD/IUPAC Name]
(1S,5S,11S,15S)-15-Acetyl-5-isopropenyl-10-oxatetracyclo[9.3.1.02,7.08,12]pentadecane-3,9,14-trione [ACD/IUPAC Name]
(1S,5S,11S,15S)-15-Acétyl-5-isopropényl-10-oxatétracyclo[9.3.1.02,7.08,12]pentadécane-3,9,14-trione [French] [ACD/IUPAC Name]
3,6-Methano-1H-benzo[3,4]cyclohepta[1,2-c]furan-1,5,7(3H,4H)-trione, 11-acetyloctahydro-9-(1-methylethenyl)-, (3S,6S,9S,11S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 556.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 246.5±30.2 °C
Index of Refraction: 1.538
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.47
ACD/KOC (pH 5.5): 84.83
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 84.83
Polar Surface Area: 78 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 266.5±3.0 cm3

Click to predict properties on the Chemicalize site


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