Found 594 results

Search term: MF = 'C_{32}H_{44}N_{2}O_{3}'
ChemSpider 2D Image | (3R)-3-Benzyl-4-(3-cyclopentylpropanoyl)-11-ethyl-2,3,4,5,6,7,8,9,10,11-decahydro-12H-1,4,11-benzoxadiazacyclotetradecin-12-one | C32H44N2O3

(3R)-3-Benzyl-4-(3-cyclopentylpropanoyl)-11-ethyl-2,3,4,5,6,7,8,9,10,11-decahydro-12H-1,4,11-benzoxadiazacyclotetradecin-12-one

  • Molecular FormulaC32H44N2O3
  • Average mass504.703 Da
  • Monoisotopic mass504.335205 Da
  • ChemSpider ID80818763

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-Benzyl-4-(3-cyclopentylpropanoyl)-11-ethyl-2,3,4,5,6,7,8,9,10,11-decahydro-12H-1,4,11-benzoxadiazacyclotetradecin-12-on [German] [ACD/IUPAC Name]
(3R)-3-Benzyl-4-(3-cyclopentylpropanoyl)-11-ethyl-2,3,4,5,6,7,8,9,10,11-decahydro-12H-1,4,11-benzoxadiazacyclotetradecin-12-one [ACD/IUPAC Name]
(3R)-3-Benzyl-4-(3-cyclopentylpropanoyl)-11-éthyl-2,3,4,5,6,7,8,9,10,11-décahydro-12H-1,4,11-benzoxadiazacyclotétradécin-12-one [French] [ACD/IUPAC Name]
12H-1,4,11-Benzoxadiazacyclotetradecin-12-one, 4-(3-cyclopentyl-1-oxopropyl)-11-ethyl-2,3,4,5,6,7,8,9,10,11-decahydro-3-(phenylmethyl)-, (3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 364.9±31.5 °C
Index of Refraction: 1.535
Molar Refractivity: 148.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 6.31
ACD/BCF (pH 5.5): 36493.72
ACD/KOC (pH 5.5): 64153.30
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 36493.77
ACD/KOC (pH 7.4): 64153.38
Polar Surface Area: 50 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 476.2±3.0 cm3

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