ChemSpider 2D Image | 2-[(1R,4R,4aS,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]acrylate | C15H21O2

2-[(1R,4R,4aS,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]acrylate

  • Molecular FormulaC15H21O2
  • Average mass233.327 Da
  • Monoisotopic mass233.154709 Da
  • ChemSpider ID28184674

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Naphthaleneacetic acid, 1,2,3,4,4a,5,6,8a-octahydro-4,7-dimethyl-α-methylene-, ion(1-), (1R,4R,4aS,8aR)- [ACD/Index Name]
2-[(1R,4R,4aS,8aR)-4,7-Diméthyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphtalényl]acrylate [French] [ACD/IUPAC Name]
2-[(1R,4R,4aS,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl]acrylate [ACD/IUPAC Name]
2-[(1R,4R,4aS,8aR)-4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalinyl]acrylat [German] [ACD/IUPAC Name]
(+)-artemisinate
2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]prop-2-enoate
artemisinate
Artemisinic acid
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (+)-artemisinic acid. The major species at pH 7.3. ChEBI CHEBI:64782

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

Density:
Boiling Point: 373.6±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.2±6.0 kJ/mol
Flash Point: 273.3±10.2 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 159.99
ACD/KOC (pH 5.5): 598.38
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 2.60
ACD/KOC (pH 7.4): 9.71
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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