ChemSpider 2D Image | Trefolane A | C15H26O2

Trefolane A

  • Molecular FormulaC15H26O2
  • Average mass238.366 Da
  • Monoisotopic mass238.193283 Da
  • ChemSpider ID28290128

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,2aS,3S,5aS,6R,8aS)-1,4,4,6-Tetramethyldecahydrocyclobuta[d]inden-1,3-diol [German] [ACD/IUPAC Name]
(1R,2aS,3S,5aS,6R,8aS)-1,4,4,6-Tetramethyldecahydrocyclobuta[d]indene-1,3-diol [ACD/IUPAC Name]
(1R,2aS,3S,5aS,6R,8aS)-1,4,4,6-Tétraméthyldécahydrocyclobuta[d]indène-1,3-diol [French] [ACD/IUPAC Name]
Cyclobut[d]indene-1,3-diol, decahydro-1,4,4,6-tetramethyl-, (1R,2aS,3S,5aS,6R,8aS)- [ACD/Index Name]
Trefolane A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 311.2±10.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 136.2±13.6 °C
Index of Refraction: 1.539
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 172.67
ACD/KOC (pH 5.5): 1389.98
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 172.67
ACD/KOC (pH 7.4): 1389.98
Polar Surface Area: 40 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 218.4±5.0 cm3

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