ChemSpider 2D Image | (1R,2R,4S,5S,9S)-9-Hydroxy-1-isopropenyl-4,8-dimethylspiro[4.5]dec-7-en-2-yl acetate | C17H26O3

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

  • Molecular FormulaC17H26O3
  • Average mass278.387 Da
  • Monoisotopic mass278.188202 Da
  • ChemSpider ID35517073

  • 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-1-isopropenyl-4,8-dimethylspiro[4.5]dec-7-en-2-yl acetate [ACD/IUPAC Name]
(1R,2R,4S,5S,9S)-9-Hydroxy-1-isopropenyl-4,8-dimethylspiro[4.5]dec-7-en-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,2R,4S,5S,9S)-9-hydroxy-1-isopropényl-4,8-diméthylspiro[4.5]déc-7-én-2-yle [French] [ACD/IUPAC Name]
Spiro[4.5]dec-8-ene-2,7-diol, 4,8-dimethyl-1-(1-methylethenyl)-, 2-acetate, (1R,2R,4S,5S,7S)- [ACD/Index Name]
Adametacorenol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 376.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.2±6.0 kJ/mol
Flash Point: 147.1±20.7 °C
Index of Refraction: 1.514
Molar Refractivity: 79.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 700.80
ACD/KOC (pH 5.5): 3788.60
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 700.80
ACD/KOC (pH 7.4): 3788.60
Polar Surface Area: 47 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 37.8±5.0 dyne/cm
Molar Volume: 262.9±5.0 cm3

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