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Search term: KOIJUEZDHWDKPR (Found by InChIKey (skeleton match))

ChemSpider 2D Image | MFCD00068511 | C32H44O8

MFCD00068511

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID3174434

More details:






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

1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,13-diyl)di(1-hexanon) [German] [ACD/IUPAC Name]
1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)di(1-hexanone) [ACD/IUPAC Name]
1,1'-(6,7,9,10,17,18,20,21-Octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadécine-2,13-diyl)di(1-hexanone) [French] [ACD/IUPAC Name]
1-Hexanone, 1,1'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2,13-diyl)bis- [ACD/Index Name]
MFCD00068511
1-(13-hexanoyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j] [18]annulen-2-yl)hexan-1-one
1-(13-hexanoyl-5,6,7,8,9,10,11,16,17,18,19,20,21,22-tetradecahydrodibenzo[a,j][18]annulen-2-yl)hexan-1-one
1,1'-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,13-diyl)bis(hexan-1-one)
C32H44O8

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 705.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 292.0±32.9 °C
Index of Refraction: 1.499
Molar Refractivity: 152.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18722.18
ACD/KOC (pH 5.5): 39786.85
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18722.18
ACD/KOC (pH 7.4): 39786.85
Polar Surface Area: 90 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 520.3±3.0 cm3

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