Found 1 result

Search term: 22913112 (Found by CSID)
ChemSpider 2D Image | (3aS,6S,7R,8aR)-8-Hydroxy-6,8-dimethyl-3-methylenehexahydro-3'H-spiro[cyclohepta[b]furan-7,2'-furan]-2,5'(3H,4'H)-dione | C15H20O5

(3aS,6S,7R,8aR)-8-Hydroxy-6,8-dimethyl-3-methylenehexahydro-3'H-spiro[cyclohepta[b]furan-7,2'-furan]-2,5'(3H,4'H)-dione

  • Molecular FormulaC15H20O5
  • Average mass280.316 Da
  • Monoisotopic mass280.131073 Da
  • ChemSpider ID22913112

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3aS,6S,7R,8aR)-8-Hydroxy-6,8-dimethyl-3-methylenehexahydro-3'H-spiro[cyclohepta[b]furan-7,2'-furan]-2,5'(3H,4'H)-dione [ACD/IUPAC Name]
Spiro[7H-cyclohepta[b]furan-7,2'(5'H)-furan]-2,5'(3H)-dione, octahydro-8-hydroxy-6,8-dimethyl-3-methylene-, (3aS,6S,7R,8aR)- [ACD/Index Name]
(3As,6S,7R,8aR)-8-hydroxy-6,8-dimethyl-3-methylidenespiro[4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione
Compound NP-002830

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

Density: 1.3±0.1 g/cm3
Boiling Point: 398.5±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.0±6.0 kJ/mol
Flash Point: 144.8±13.1 °C
Index of Refraction: 1.546
Molar Refractivity: 70.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 89.79
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.76
ACD/KOC (pH 7.4): 89.79
Polar Surface Area: 73 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 221.3±5.0 cm3

Click to predict properties on the Chemicalize site


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