ChemSpider 2D Image | (+)-vittatalactone | C16H30O2

(+)-vittatalactone

  • Molecular FormulaC16H30O2
  • Average mass254.408 Da
  • Monoisotopic mass254.224579 Da
  • ChemSpider ID28288960

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(+)-vittatalactone
(3R,4R)-3-Methyl-4-[(2S,4S,6S)-4,6,8-trimethyl-2-nonanyl]-2-oxetanon [German] [ACD/IUPAC Name]
(3R,4R)-3-Methyl-4-[(2S,4S,6S)-4,6,8-trimethyl-2-nonanyl]-2-oxetanone [ACD/IUPAC Name]
(3R,4R)-3-Méthyl-4-[(2S,4S,6S)-4,6,8-triméthyl-2-nonanyl]-2-oxêtanone [French] [ACD/IUPAC Name]
2-Oxetanone, 3-methyl-4-[(1S,3S,5S)-1,3,5,7-tetramethyloctyl]-, (3R,4R)- [ACD/Index Name]
vittatalactone

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

Density: 0.9±0.1 g/cm3
Boiling Point: 327.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.0±3.0 kJ/mol
Flash Point: 135.2±16.7 °C
Index of Refraction: 1.453
Molar Refractivity: 75.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1990.83
ACD/KOC (pH 5.5): 7999.17
ACD/LogD (pH 7.4): 4.64
ACD/BCF (pH 7.4): 1990.83
ACD/KOC (pH 7.4): 7999.17
Polar Surface Area: 26 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 29.8±3.0 dyne/cm
Molar Volume: 280.3±3.0 cm3

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