ChemSpider 2D Image | (3S,3'R,3aR,6S,7R,7aS)-3,4',6-Trimethyl-2,3,3a,5,6,7a-hexahydro-4H-spiro[1-benzofuran-7,1'-cyclopent[4]en]-3'-ol | C15H24O2

(3S,3'R,3aR,6S,7R,7aS)-3,4',6-Trimethyl-2,3,3a,5,6,7a-hexahydro-4H-spiro[1-benzofuran-7,1'-cyclopent[4]en]-3'-ol

  • Molecular FormulaC15H24O2
  • Average mass236.350 Da
  • Monoisotopic mass236.177628 Da
  • ChemSpider ID78442282

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,3'R,3aR,6S,7R,7aS)-3,4',6-Trimethyl-2,3,3a,5,6,7a-hexahydro-4H-spiro[1-benzofuran-7,1'-cyclopent[4]en]-3'-ol [ACD/IUPAC Name]
Spiro[benzofuran-7(4H),1'-cyclopent[4]en]-3'-ol, 2,3,3a,5,6,7a-hexahydro-3,4',6-trimethyl-, (3S,3'R,3aR,6S,7R,7aS)- [ACD/Index Name]
Tramspiroin C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 352.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 147.1±22.1 °C
Index of Refraction: 1.532
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 248.54
ACD/KOC (pH 5.5): 1804.00
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 248.54
ACD/KOC (pH 7.4): 1804.00
Polar Surface Area: 29 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 38.9±5.0 dyne/cm
Molar Volume: 220.0±5.0 cm3

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