ChemSpider 2D Image | (5R,6S,9S)-3-(2-Hydroxy-2-propanyl)-6-isopropenyl-9-methyl-1-oxaspiro[4.4]non-3-en-2-one | C15H22O3

(5R,6S,9S)-3-(2-Hydroxy-2-propanyl)-6-isopropenyl-9-methyl-1-oxaspiro[4.4]non-3-en-2-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID29414733

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,6S,9S)-3-(2-Hydroxy-2-propanyl)-6-isopropenyl-9-methyl-1-oxaspiro[4.4]non-3-en-2-on [German] [ACD/IUPAC Name]
(5R,6S,9S)-3-(2-Hydroxy-2-propanyl)-6-isopropenyl-9-methyl-1-oxaspiro[4.4]non-3-en-2-one [ACD/IUPAC Name]
(5R,6S,9S)-3-(2-Hydroxy-2-propanyl)-6-isopropényl-9-méthyl-1-oxaspiro[4.4]non-3-én-2-one [French] [ACD/IUPAC Name]
1-Oxaspiro[4.4]non-3-en-2-one, 3-(1-hydroxy-1-methylethyl)-6-methyl-9-(1-methylethenyl)-, (5R,6S,9S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±6.0 kJ/mol
Flash Point: 172.7±18.2 °C
Index of Refraction: 1.522
Molar Refractivity: 70.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.95
ACD/KOC (pH 5.5): 521.96
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.95
ACD/KOC (pH 7.4): 521.96
Polar Surface Area: 47 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 38.6±5.0 dyne/cm
Molar Volume: 229.6±5.0 cm3

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