ChemSpider 2D Image | (3S,4R,4aS,8aR,9aS)-4-{(E)-2-[(2S,6R)-1,6-Dimethyl-2-piperidinyl]vinyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one | C22H35NO2

(3S,4R,4aS,8aR,9aS)-4-{(E)-2-[(2S,6R)-1,6-Dimethyl-2-piperidinyl]vinyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one

  • Molecular FormulaC22H35NO2
  • Average mass345.519 Da
  • Monoisotopic mass345.266785 Da
  • ChemSpider ID23975885
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(3S,4R,4aS,8aR,9aS)-4-{(E)-2-[(2S,6R)-1,6-Dimethyl-2-piperidinyl]vinyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-on [German] [ACD/IUPAC Name]
(3S,4R,4aS,8aR,9aS)-4-{(E)-2-[(2S,6R)-1,6-Dimethyl-2-piperidinyl]vinyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one [ACD/IUPAC Name]
(3S,4R,4aS,8aR,9aS)-4-{(E)-2-[(2S,6R)-1,6-Diméthyl-2-pipéridinyl]vinyl}-3-méthyldécahydronaphto[2,3-c]furan-1(3H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-c]furan-1(3H)-one, 4-[(E)-2-[(2S,6R)-1,6-dimethyl-2-piperidinyl]ethenyl]decahydro-3-methyl-, (3S,4R,4aS,8aR,9aS)- [ACD/Index Name]
Himbacine

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 142.9±19.6 °C
Index of Refraction: 1.566
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 6.06
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 4.71
ACD/KOC (pH 7.4): 19.49
Polar Surface Area: 30 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 321.3±3.0 cm3

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