ChemSpider 2D Image | (+)-vulgraon B | C16H24

(+)-vulgraon B

  • Molecular FormulaC16H24
  • Average mass216.362 Da
  • Monoisotopic mass216.187805 Da
  • ChemSpider ID29368093

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(+)-vulgraon B
(2S,7R)-2,6,6,9-Tetramethyl-11-methylenetricyclo[5.4.0.02,8]undec-9-ene [ACD/IUPAC Name]
(2S,7R)-2,6,6,9-Tétraméthyl-11-méthylènetricyclo[5.4.0.02,8]undéc-9-ène [French] [ACD/IUPAC Name]
(2S,7R)-2,6,6,9-Tetramethyl-11-methylentricyclo[5.4.0.02,8]undec-9-en [German] [ACD/IUPAC Name]
Tricyclo[5.4.0.02,8]undec-9-ene, 2,6,6,9-tetramethyl-11-methylene-, (2S,7R)- [ACD/Index Name]
(+)-3-longipinen-5-one
(2S,7R)-2,6,6,9-tetramethyl-11-methylidenetricyclo[5.4.0.0(2,8)]undec-9-ene
  • Miscellaneous

    • Chemical Class:

      A sesquiterpene that is tricyclo[5.4.0.0(2,8)]undec-9-ene substituted by methyl groups at positions 2, 6, 6, and 9 as well as a methylidene group at position 11. ChEBI CHEBI:73881
      A sesquiterpene that is tricyclo[5.4.0.0<smallsup>2,8</smallsup>]undec-9-ene substituted by methyl groups at positions 2, 6, 6, and 9 as well as a methylidene group at position 11. ChEBI CHEBI:73881
      A sesquiterpene that is tricyclo[5.4.0.02,8]undec-9-ene substituted by methyl groups at positions 2, 6, 6, and 9 as well as a methylidene group at position 11. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73881

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

Density: 1.0±0.1 g/cm3
Boiling Point: 270.9±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 48.9±0.8 kJ/mol
Flash Point: 106.9±13.0 °C
Index of Refraction: 1.521
Molar Refractivity: 69.2±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.48
ACD/LogD (pH 5.5): 6.43
ACD/BCF (pH 5.5): 45797.07
ACD/KOC (pH 5.5): 75476.20
ACD/LogD (pH 7.4): 6.43
ACD/BCF (pH 7.4): 45797.07
ACD/KOC (pH 7.4): 75476.20
Polar Surface Area: 0 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 31.6±5.0 dyne/cm
Molar Volume: 227.0±5.0 cm3

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