ChemSpider 2D Image | smenolactone D | C24H31ClO4

smenolactone D

  • Molecular FormulaC24H31ClO4
  • Average mass418.953 Da
  • Monoisotopic mass418.191101 Da
  • ChemSpider ID74181503
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(6S)-6-[(4E,9Z)-9-Benzyl-10-chlor-7-hydroxy-4-methyl-4,9-decadien-2-yl]-4-methoxy-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6S)-6-[(4E,9Z)-9-Benzyl-10-chloro-7-hydroxy-4-methyl-4,9-decadien-2-yl]-4-methoxy-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6S)-6-[(4E,9Z)-9-Benzyl-10-chloro-7-hydroxy-4-méthyl-4,9-décadién-2-yl]-4-méthoxy-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
2H-Pyran-2-one, 6-[(3E,8Z)-9-chloro-6-hydroxy-1,3-dimethyl-8-(phenylmethyl)-3,8-nonadien-1-yl]-5,6-dihydro-4-methoxy-, (6S)- [ACD/Index Name]
smenolactone D

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 613.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 324.8±31.5 °C
Index of Refraction: 1.555
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6069.24
ACD/KOC (pH 5.5): 17764.76
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6069.24
ACD/KOC (pH 7.4): 17764.76
Polar Surface Area: 56 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 364.5±5.0 cm3

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