Found 13 results

Search term: MF = 'C_{33}H_{51}NO_{8}'
ChemSpider 2D Image | 2-Acetyl-3-(3-nitrophenyl)-4-[(octadecyloxy)carbonyl]-5-oxohexanoic acid | C33H51NO8

2-Acetyl-3-(3-nitrophenyl)-4-[(octadecyloxy)carbonyl]-5-oxohexanoic acid

  • Molecular FormulaC33H51NO8
  • Average mass589.760 Da
  • Monoisotopic mass589.361450 Da
  • ChemSpider ID263062

More details:

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

2-Acetyl-3-(3-nitrophenyl)-4-[(octadecyloxy)carbonyl]-5-oxohexanoic acid [ACD/IUPAC Name]
2-Acetyl-3-(3-nitrophenyl)-4-[(octadecyloxy)carbonyl]-5-oxohexansäure [German] [ACD/IUPAC Name]
Acide 2-acétyl-3-(3-nitrophényl)-4-[(octadécyloxy)carbonyl]-5-oxohexanoïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 2,4-diacetyl-3-(3-nitrophenyl)-, monooctadecyl ester [ACD/Index Name]

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

NSC169231 [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: 702.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±3.0 kJ/mol
Flash Point: 378.6±32.9 °C
Index of Refraction: 1.509
Molar Refractivity: 161.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 2
ACD/LogP: 11.34
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 68142.40
ACD/KOC (pH 5.5): 19996.71
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 4343.78
ACD/KOC (pH 7.4): 1274.70
Polar Surface Area: 144 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 43.0±3.0 dyne/cm
Molar Volume: 540.6±3.0 cm3

Click to predict properties on the Chemicalize site


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