Found 1 result

Search term: VPQQLTZISNCEKH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3aS)-7,7-Dimethyloctahydrobenzo[2,3]cyclohepta[1,2-b]furan-2,6(3H,7H)-dione | C15H22O3

(3aS)-7,7-Dimethyloctahydrobenzo[2,3]cyclohepta[1,2-b]furan-2,6(3H,7H)-dione

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID30650815

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(3aS)-7,7-Dimethyloctahydrobenzo[2,3]cyclohepta[1,2-b]furan-2,6(3H,7H)-dion [German] [ACD/IUPAC Name]
(3aS)-7,7-Dimethyloctahydrobenzo[2,3]cyclohepta[1,2-b]furan-2,6(3H,7H)-dione [ACD/IUPAC Name]
(3aS)-7,7-Diméthyloctahydrobenzo[2,3]cyclohepta[1,2-b]furane-2,6(3H,7H)-dione [French] [ACD/IUPAC Name]
Benzo[2,3]cyclohepta[1,2-b]furan-2,6(3H,7H)-dione, octahydro-7,7-dimethyl-, (3aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 414.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 184.4±28.8 °C
Index of Refraction: 1.518
Molar Refractivity: 67.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.55
ACD/KOC (pH 5.5): 543.93
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.55
ACD/KOC (pH 7.4): 543.93
Polar Surface Area: 43 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 40.9±5.0 dyne/cm
Molar Volume: 222.0±5.0 cm3

Click to predict properties on the Chemicalize site


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