ChemSpider 2D Image | (13E)-10-(3-Chloro-4-methoxybenzyl)-3-isobutyl-6,6-dimethyl-16-[1-(3-phenyl-2-oxiranyl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone | C36H45ClN2O8

(13E)-10-(3-Chloro-4-methoxybenzyl)-3-isobutyl-6,6-dimethyl-16-[1-(3-phenyl-2-oxiranyl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

  • Molecular FormulaC36H45ClN2O8
  • Average mass669.204 Da
  • Monoisotopic mass668.286438 Da
  • ChemSpider ID57462397

  • Double-bond stereo - Double-bond stereo

More details:

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

(13E)-10-(3-Chlor-4-methoxybenzyl)-3-isobutyl-6,6-dimethyl-16-[1-(3-phenyl-2-oxiranyl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-2,5,9,12-tetron [German] [ACD/IUPAC Name]
(13E)-10-(3-Chloro-4-methoxybenzyl)-3-isobutyl-6,6-dimethyl-16-[1-(3-phenyl-2-oxiranyl)ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone [ACD/IUPAC Name]
(13E)-10-(3-Chloro-4-méthoxybenzyl)-3-isobutyl-6,6-diméthyl-16-[1-(3-phényl-2-oxiranyl)éthyl]-1,4-dioxa-8,11-diazacyclohexadéc-13-ène-2,5,9,12-tétrone [French] [ACD/IUPAC Name]
1,4-Dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-[(3-chloro-4-methoxyphenyl)methyl]-6,6-dimethyl-3-(2-methylpropyl)-16-[1-(3-phenyloxiranyl)ethyl]-, (13E)- [ACD/Index Name]
10-[(3-CHLORO-4-METHOXYPHENYL)METHYL]-6,6-DIMETHYL-3-(2-METHYLPROPYL)-16-[1-(3-PHENYLOXIRAN-2-YL)ETHYL]-1,4-DIOXA-8,11-DIAZACYCLOHEXADEC-13-ENE-2,5,9,12-TETRONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 884.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.6±3.0 kJ/mol
Flash Point: 488.9±34.3 °C
Index of Refraction: 1.523
Molar Refractivity: 176.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 481.59
ACD/KOC (pH 5.5): 2896.43
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 481.58
ACD/KOC (pH 7.4): 2896.41
Polar Surface Area: 133 Å2
Polarizability: 70.0±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 577.5±3.0 cm3

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