ChemSpider 2D Image | 4-Methylcyclohexyl 2-(1-hydroxycyclopentyl)-5-{3-[(6-hydroxy-6-methyl-2-heptanyl)amino]-3-oxopropyl}-7-methoxy-1-benzofuran-3-carboxylate | C33H49NO7

4-Methylcyclohexyl 2-(1-hydroxycyclopentyl)-5-{3-[(6-hydroxy-6-methyl-2-heptanyl)amino]-3-oxopropyl}-7-methoxy-1-benzofuran-3-carboxylate

  • Molecular FormulaC33H49NO7
  • Average mass571.745 Da
  • Monoisotopic mass571.350891 Da
  • ChemSpider ID5045328

More details:

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

2-(1-Hydroxycyclopentyl)-5-{3-[(6-hydroxy-6-méthyl-2-heptanyl)amino]-3-oxopropyl}-7-méthoxy-1-benzofurane-3-carboxylate de 4-méthylcyclohexyle [French] [ACD/IUPAC Name]
3-Benzofurancarboxylic acid, 2-(1-hydroxycyclopentyl)-5-[3-[(5-hydroxy-1,5-dimethylhexyl)amino]-3-oxopropyl]-7-methoxy-, 4-methylcyclohexyl ester [ACD/Index Name]
4-Methylcyclohexyl 2-(1-hydroxycyclopentyl)-5-{3-[(6-hydroxy-6-methyl-2-heptanyl)amino]-3-oxopropyl}-7-methoxy-1-benzofuran-3-carboxylate [ACD/IUPAC Name]
4-Methylcyclohexyl-2-(1-hydroxycyclopentyl)-5-{3-[(6-hydroxy-6-methyl-2-heptanyl)amino]-3-oxopropyl}-7-methoxy-1-benzofuran-3-carboxylat [German] [ACD/IUPAC Name]

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

CBiol_000592 [DBID]
ICCB3_000240 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 748.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 406.4±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 158.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6970.26
ACD/KOC (pH 5.5): 19615.02
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6970.26
ACD/KOC (pH 7.4): 19615.02
Polar Surface Area: 118 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 483.6±5.0 cm3

Click to predict properties on the Chemicalize site


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