Found 64 results

Search term: MF = 'C_{31}H_{32}O_{5}'
ChemSpider 2D Image | {2-[(2R,3S,4aS,11bR)-2-Isopropenyl-1,2,3,4a,5,6,7,11b-octahydrobenzo[3,4]cyclohepta[1,2-b]pyran-3-yl]-4-phenoxyphenoxy}acetic acid | C31H32O5

{2-[(2R,3S,4aS,11bR)-2-Isopropenyl-1,2,3,4a,5,6,7,11b-octahydrobenzo[3,4]cyclohepta[1,2-b]pyran-3-yl]-4-phenoxyphenoxy}acetic acid

  • Molecular FormulaC31H32O5
  • Average mass484.583 Da
  • Monoisotopic mass484.224976 Da
  • ChemSpider ID68650202

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

{2-[(2R,3S,4aS,11bR)-2-Isopropenyl-1,2,3,4a,5,6,7,11b-octahydrobenzo[3,4]cyclohepta[1,2-b]pyran-3-yl]-4-phenoxyphenoxy}acetic acid [ACD/IUPAC Name]
{2-[(2R,3S,4aS,11bR)-2-Isopropenyl-1,2,3,4a,5,6,7,11b-octahydrobenzo[3,4]cyclohepta[1,2-b]pyran-3-yl]-4-phenoxyphenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[2-[(2R,3S,4aS,11bR)-1,2,3,4a,5,6,7,11b-octahydro-2-(1-methylethenyl)benzo[3,4]cyclohepta[1,2-b]pyran-3-yl]-4-phenoxyphenoxy]- [ACD/Index Name]
Acide {2-[(2R,3S,4aS,11bR)-2-isopropényl-1,2,3,4a,5,6,7,11b-octahydrobenzo[3,4]cyclohepta[1,2-b]pyran-3-yl]-4-phénoxyphénoxy}acétique [French] [ACD/IUPAC 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: 649.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 211.6±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 138.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 503.48
ACD/KOC (pH 5.5): 655.78
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 24.77
ACD/KOC (pH 7.4): 32.26
Polar Surface Area: 65 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 412.5±3.0 cm3

Click to predict properties on the Chemicalize site


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