Found 7 results

Search term: NNOLCPLJEUHKPQ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,4aS,7R,8aS)-2-[(2S)-2,6-Dimethyl-5-hepten-1-yl]-7-methyl-4-methyleneoctahydro-2H-chromene | C20H34O

(2R,4aS,7R,8aS)-2-[(2S)-2,6-Dimethyl-5-hepten-1-yl]-7-methyl-4-methyleneoctahydro-2H-chromene

  • Molecular FormulaC20H34O
  • Average mass290.483 Da
  • Monoisotopic mass290.260956 Da
  • ChemSpider ID62623745

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,4aS,7R,8aS)-2-[(2S)-2,6-Dimethyl-5-hepten-1-yl]-7-methyl-4-methyleneoctahydro-2H-chromene [ACD/IUPAC Name]
(2R,4aS,7R,8aS)-2-[(2S)-2,6-Diméthyl-5-heptén-1-yl]-7-méthyl-4-méthylèneoctahydro-2H-chromène [French] [ACD/IUPAC Name]
(2R,4aS,7R,8aS)-2-[(2S)-2,6-Dimethyl-5-hepten-1-yl]-7-methyl-4-methylenoctahydro-2H-chromen [German] [ACD/IUPAC Name]
2H-1-Benzopyran, 2-[(2S)-2,6-dimethyl-5-hepten-1-yl]octahydro-7-methyl-4-methylene-, (2R,4aS,7R,8aS)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 371.0±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 173.5±22.8 °C
Index of Refraction: 1.488
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.30
ACD/LogD (pH 5.5): 6.87
ACD/BCF (pH 5.5): 97830.16
ACD/KOC (pH 5.5): 129944.98
ACD/LogD (pH 7.4): 6.87
ACD/BCF (pH 7.4): 97830.16
ACD/KOC (pH 7.4): 129944.98
Polar Surface Area: 9 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 31.4±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement