ChemSpider 2D Image | 2-Methyl-2-propanyl [4-({1-[(3aS,7aS)-3a,7a-dihydro-1H-indol-3-yl]-3,4-dioxo-3,4-dihydro-2-naphthalenyl}methyl)phenoxy]acetate | C31H29NO5

2-Methyl-2-propanyl [4-({1-[(3aS,7aS)-3a,7a-dihydro-1H-indol-3-yl]-3,4-dioxo-3,4-dihydro-2-naphthalenyl}methyl)phenoxy]acetate

  • Molecular FormulaC31H29NO5
  • Average mass495.566 Da
  • Monoisotopic mass495.204559 Da
  • ChemSpider ID57642151

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-({1-[(3aS,7aS)-3a,7a-Dihydro-1H-indol-3-yl]-3,4-dioxo-3,4-dihydro-2-naphtalényl}méthyl)phénoxy]acétate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [4-({1-[(3aS,7aS)-3a,7a-dihydro-1H-indol-3-yl]-3,4-dioxo-3,4-dihydro-2-naphthalenyl}methyl)phenoxy]acetate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-({1-[(3aS,7aS)-3a,7a-dihydro-1H-indol-3-yl]-3,4-dioxo-3,4-dihydro-2-naphthalinyl}methyl)phenoxy]acetat [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[[1-[(3aS,7aS)-3a,7a-dihydro-1H-indol-3-yl]-3,4-dihydro-3,4-dioxo-2-naphthalenyl]methyl]phenoxy]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.8±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 593.76
ACD/KOC (pH 5.5): 2823.49
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1088.72
ACD/KOC (pH 7.4): 5177.18
Polar Surface Area: 82 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 395.1±3.0 cm3

Click to predict properties on the Chemicalize site


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