ChemSpider 2D Image | albaflavenone | C15H22O

albaflavenone

  • Molecular FormulaC15H22O
  • Average mass218.335 Da
  • Monoisotopic mass218.167068 Da
  • ChemSpider ID24846735
  • defined stereocentres - 3 of 3 defined stereocentres


More details:



Featured data source



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

(1R,2S,8S)-2,6,7,7-Tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-on [German] [ACD/IUPAC Name]
(1R,2S,8S)-2,6,7,7-Tetramethyltricyclo[6.2.1.01,5]undec-5-en-4-one [ACD/IUPAC Name]
(1R,2S,8S)-2,6,7,7-Tétraméthyltricyclo[6.2.1.01,5]undéc-5-én-4-one [French] [ACD/IUPAC Name]
1H-3a,6-Methanoazulen-1-one, 2,3,4,5,6,7-hexahydro-3,7,7,8-tetramethyl-, (3S,3aR,6S)- [ACD/Index Name]
albaflavenone
(+)-epi-isozizaen-5-one
(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-one
(3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-one
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:51460

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 318.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.0±3.0 kJ/mol
Flash Point: 140.3±9.6 °C
Index of Refraction: 1.525
Molar Refractivity: 64.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 310.29
ACD/KOC (pH 5.5): 2114.51
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 310.29
ACD/KOC (pH 7.4): 2114.51
Polar Surface Area: 17 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 35.3±5.0 dyne/cm
Molar Volume: 211.8±5.0 cm3

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