ChemSpider 2D Image | (1R,2R,4S,5S,9S)-9-Hydroxy-8-(hydroxymethyl)-1-isopropenyl-4-methylspiro[4.5]dec-7-en-2-yl acetate | C17H26O4

(1R,2R,4S,5S,9S)-9-Hydroxy-8-(hydroxymethyl)-1-isopropenyl-4-methylspiro[4.5]dec-7-en-2-yl acetate

  • Molecular FormulaC17H26O4
  • Average mass294.386 Da
  • Monoisotopic mass294.183105 Da
  • ChemSpider ID35517074

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,4S,5S,9S)-9-Hydroxy-8-(hydroxymethyl)-1-isopropenyl-4-methylspiro[4.5]dec-7-en-2-yl acetate [ACD/IUPAC Name]
(1R,2R,4S,5S,9S)-9-Hydroxy-8-(hydroxymethyl)-1-isopropenyl-4-methylspiro[4.5]dec-7-en-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,2R,4S,5S,9S)-9-hydroxy-8-(hydroxyméthyl)-1-isopropényl-4-méthylspiro[4.5]déc-7-én-2-yle [French] [ACD/IUPAC Name]
Spiro[4.5]dec-8-ene-2,7-diol, 8-(hydroxymethyl)-4-methyl-1-(1-methylethenyl)-, 2-acetate, (1R,2R,4S,5S,7S)- [ACD/Index Name]
Adametacorenol B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±6.0 kJ/mol
Flash Point: 150.0±22.2 °C
Index of Refraction: 1.533
Molar Refractivity: 80.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.71
ACD/KOC (pH 5.5): 1694.41
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.71
ACD/KOC (pH 7.4): 1694.41
Polar Surface Area: 67 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 260.3±5.0 cm3

Click to predict properties on the Chemicalize site


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