Found 1 result

Search term: FXYWZSZQPOXFIV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4aR,8S,10aS,12aR)-4a,10a,12a-Trimethyl-1-[(2R)-6-methyl-2-heptanyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydronaphtho[1,2-h]quinolin-8-ol | C28H49NO

(4aR,8S,10aS,12aR)-4a,10a,12a-Trimethyl-1-[(2R)-6-methyl-2-heptanyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydronaphtho[1,2-h]quinolin-8-ol

  • Molecular FormulaC28H49NO
  • Average mass415.695 Da
  • Monoisotopic mass415.381409 Da
  • ChemSpider ID24680543

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(4aR,8S,10aS,12aR)-4a,10a,12a-Trimethyl-1-[(2R)-6-methyl-2-heptanyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydronaphtho[1,2-h]chinolin-8-ol [German] [ACD/IUPAC Name]
(4aR,8S,10aS,12aR)-4a,10a,12a-Trimethyl-1-[(2R)-6-methyl-2-heptanyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydronaphtho[1,2-h]quinolin-8-ol [ACD/IUPAC Name]
(4aR,8S,10aS,12aR)-4a,10a,12a-Triméthyl-1-[(2R)-6-méthyl-2-heptanyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadécahydronaphto[1,2-h]quinoléin-8-ol [French] [ACD/IUPAC Name]
Naphtho[1,2-h]quinolin-8-ol, 1-[(1R)-1,5-dimethylhexyl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydro-4a,10a,12a-trimethyl-, (4aR,8S,10aS,12aR)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 509.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.8±6.0 kJ/mol
Flash Point: -4.2±20.8 °C
Index of Refraction: 1.531
Molar Refractivity: 128.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.89
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 1141.69
ACD/KOC (pH 5.5): 709.38
ACD/LogD (pH 7.4): 5.63
ACD/BCF (pH 7.4): 2395.58
ACD/KOC (pH 7.4): 1488.49
Polar Surface Area: 32 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 39.5±5.0 dyne/cm
Molar Volume: 414.1±5.0 cm3

Click to predict properties on the Chemicalize site


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