ChemSpider 2D Image | DIHYDROAGAROFURAN. CIS- | C15H26O

DIHYDROAGAROFURAN. CIS-

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID34987377

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,6R,9R)-2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan [German] [ACD/IUPAC Name]
(1S,2R,6R,9R)-2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane [ACD/IUPAC Name]
(1S,2R,6R,9R)-2,6,10,10-Tétraméthyl-11-oxatricyclo[7.2.1.01,6]dodécane [French] [ACD/IUPAC Name]
150652-94-1 [RN]
2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, (3R,5aR,9R,9aS)- [ACD/Index Name]
DIHYDROAGAROFURAN. CIS-

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

7QLI5HGG0I [DBID]
UNII:7QLI5HGG0I [DBID]
UNII-7QLI5HGG0I [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 258.0±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.6±3.0 kJ/mol
Flash Point: 96.2±15.3 °C
Index of Refraction: 1.499
Molar Refractivity: 67.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.83
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2708.63
ACD/KOC (pH 5.5): 9971.42
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2708.63
ACD/KOC (pH 7.4): 9971.42
Polar Surface Area: 9 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 33.0±5.0 dyne/cm
Molar Volume: 228.4±5.0 cm3

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