ChemSpider 2D Image | (2E)-5-[(1S,4S,6S,10R,12S)-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.0~4,6~]dodec-12-yl]-2-methyl-2-penten-1-ol | C20H32O2

(2E)-5-[(1S,4S,6S,10R,12S)-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodec-12-yl]-2-methyl-2-penten-1-ol

  • Molecular FormulaC20H32O2
  • Average mass304.467 Da
  • Monoisotopic mass304.240234 Da
  • ChemSpider ID23339491

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2E)-5-[(1S,4S,6S,10R,12S)-4,12-Dimethyl-9-methylen-5-oxatricyclo[8.2.0.04,6]dodec-12-yl]-2-methyl-2-penten-1-ol [German] [ACD/IUPAC Name]
(2E)-5-[(1S,4S,6S,10R,12S)-4,12-Dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodec-12-yl]-2-methyl-2-penten-1-ol [ACD/IUPAC Name]
(2E)-5-[(1S,4S,6S,10R,12S)-4,12-Diméthyl-9-méthylène-5-oxatricyclo[8.2.0.04,6]dodéc-12-yl]-2-méthyl-2-pentén-1-ol [French] [ACD/IUPAC Name]
2-Penten-1-ol, 5-[(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylene-5-oxatricyclo[8.2.0.04,6]dodec-12-yl]-2-methyl-, (2E)- [ACD/Index Name]
(2E)-5-[(1S,4S,6S,10R,12S)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.04,6]dodec-12-yl]-2-methylpent-2-en-1-ol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511535/
Nanolobatin A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 406.2±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 76.0±6.0 kJ/mol
Flash Point: 162.2±18.2 °C
Index of Refraction: 1.527
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.06
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3623.28
ACD/KOC (pH 5.5): 12280.02
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3623.28
ACD/KOC (pH 7.4): 12280.02
Polar Surface Area: 33 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 295.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement