Found 193 results

Search term: MF = 'C_{27}H_{32}O_{5}'
ChemSpider 2D Image | (3R,11E)-14-[(3,5-Dimethylbenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione | C27H32O5

(3R,11E)-14-[(3,5-Dimethylbenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione

  • Molecular FormulaC27H32O5
  • Average mass436.540 Da
  • Monoisotopic mass436.224976 Da
  • ChemSpider ID71291916

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R,11E)-14-[(3,5-Dimethylbenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1,7(8H)-dion [German] [ACD/IUPAC Name]
(3R,11E)-14-[(3,5-Dimethylbenzyl)oxy]-16-hydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione [ACD/IUPAC Name]
(3R,11E)-14-[(3,5-Diméthylbenzyl)oxy]-16-hydroxy-3-méthyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotétradécine-1,7(8H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 14-[(3,5-dimethylphenyl)methoxy]-3,4,5,6,9,10-hexahydro-16-hydroxy-3-methyl-, (3R,11E)- [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: 666.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 223.1±25.0 °C
Index of Refraction: 1.548
Molar Refractivity: 124.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14950.29
ACD/KOC (pH 5.5): 33745.72
ACD/LogD (pH 7.4): 5.50
ACD/BCF (pH 7.4): 7479.98
ACD/KOC (pH 7.4): 16883.77
Polar Surface Area: 73 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 391.2±3.0 cm3

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