ChemSpider 2D Image | (8aS)-2,5,5,8a-Tetramethyl-6,7,8,8a-tetrahydro-5H-chromene | C13H20O

(8aS)-2,5,5,8a-Tetramethyl-6,7,8,8a-tetrahydro-5H-chromene

  • Molecular FormulaC13H20O
  • Average mass192.297 Da
  • Monoisotopic mass192.151413 Da
  • ChemSpider ID34988717
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(8aS)-2,5,5,8a-Tetramethyl-6,7,8,8a-tetrahydro-5H-chromen [German] [ACD/IUPAC Name]
(8aS)-2,5,5,8a-Tetramethyl-6,7,8,8a-tetrahydro-5H-chromene [ACD/IUPAC Name]
(8aS)-2,5,5,8a-Tétraméthyl-6,7,8,8a-tétrahydro-5H-chromène [French] [ACD/IUPAC Name]
5H-1-Benzopyran, 6,7,8,8a-tetrahydro-2,5,5,8a-tetramethyl-, (8aS)- [ACD/Index Name]
226-916-2 [EINECS]
5552-30-7 [RN]
Cycloionone
UNII-9Q35X5W89M

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

Density: 1.0±0.1 g/cm3
Boiling Point: 264.3±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.2±3.0 kJ/mol
Flash Point: 107.8±14.7 °C
Index of Refraction: 1.507
Molar Refractivity: 59.3±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1156.06
ACD/KOC (pH 5.5): 5421.03
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1156.06
ACD/KOC (pH 7.4): 5421.03
Polar Surface Area: 9 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 31.6±5.0 dyne/cm
Molar Volume: 199.2±5.0 cm3

Click to predict properties on the Chemicalize site






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