ChemSpider 2D Image | 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecenylphosphine oxide | C31H45O6P

2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecenylphosphine oxide

  • Molecular FormulaC31H45O6P
  • Average mass544.659 Da
  • Monoisotopic mass544.295349 Da
  • ChemSpider ID331999

More details:

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

2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecen-1-ylphosphine oxide [ACD/IUPAC Name]
2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecen-1-ylphosphinoxid [German] [ACD/IUPAC Name]
2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecenylphosphine oxide
Oxyde de 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadécin-15-yl(phényl)10-undécén-1-ylphosphine [French] [ACD/IUPAC Name]
Phosphorane, (2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)phenyl-10-undecen-1-yl-, oxide [ACD/Index Name]

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

AIDS140294 [DBID]
AIDS-140294 [DBID]
NCI60_018059 [DBID]
NSC651709 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 637.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 351.7±51.8 °C
Index of Refraction: 1.535
Molar Refractivity: 152.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10079.55
ACD/KOC (pH 5.5): 25541.88
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10079.55
ACD/KOC (pH 7.4): 25541.88
Polar Surface Area: 73 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 489.9±5.0 cm3

Click to predict properties on the Chemicalize site


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