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Search term: neopentalenolactone D (Found by approved synonym)
ChemSpider 2D Image | neopentalenolactone D | C15H20O4

neopentalenolactone D

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID28533341

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4aR,6aS,9aR)-1,8,8-Trimethyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaleno[6a,1-c]pyran-5-carbonsäure [German] [ACD/IUPAC Name]
(1S,4aR,6aS,9aR)-1,8,8-Trimethyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaleno[6a,1-c]pyran-5-carboxylic acid [ACD/IUPAC Name]
1H,3H-Pentaleno[6a,1-c]pyran-5-carboxylic acid, 4,4a,6a,7,8,9-hexahydro-1,8,8-trimethyl-3-oxo-, (1S,4aR,6aS,9aR)- [ACD/Index Name]
Acide (1S,4aR,6aS,9aR)-1,8,8-triméthyl-3-oxo-4,4a,6a,7,8,9-hexahydro-3H-pentaléno[6a,1-c]pyrane-5-carboxylique [French] [ACD/IUPAC Name]
neopentalenolactone D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.2±6.0 kJ/mol
Flash Point: 170.7±22.2 °C
Index of Refraction: 1.556
Molar Refractivity: 68.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 5.45
ACD/KOC (pH 5.5): 56.98
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 213.2±5.0 cm3

Click to predict properties on the Chemicalize site


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