Found 121 results

Search term: MF = 'C_{29}H_{36}O_{8}'
ChemSpider 2D Image | {[18-(1-Octyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}acetic acid | C29H36O8

{[18-(1-Octyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}acetic acid

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID8848674

More details:

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

{[18-(1-Octin-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}essigsäure [German] [ACD/IUPAC Name]
{[18-(1-Octyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[6,7,9,10,18,19-hexahydro-18-(1-octyn-1-yl)-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl]oxy]- [ACD/Index Name]
Acide {[18-(1-octyn-1-yl)-6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadécin-18-yl]oxy}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: 670.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 215.7±25.0 °C
Index of Refraction: 1.571
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 23.51
ACD/KOC (pH 5.5): 76.54
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 1.03
ACD/KOC (pH 7.4): 3.36
Polar Surface Area: 93 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 420.9±5.0 cm3

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