ChemSpider 2D Image | truncateol V | C16H20O4

truncateol V

  • Molecular FormulaC16H20O4
  • Average mass276.328 Da
  • Monoisotopic mass276.136169 Da
  • ChemSpider ID23340760

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(2-Hydroxy-2-propanyl)-6,6-dimethyl-2,3,6,7-tetrahydro-8H-furo[2,3-g]chromen-8-on [German] [ACD/IUPAC Name]
(2R)-2-(2-Hydroxy-2-propanyl)-6,6-dimethyl-2,3,6,7-tetrahydro-8H-furo[2,3-g]chromen-8-one [ACD/IUPAC Name]
(2R)-2-(2-Hydroxy-2-propanyl)-6,6-diméthyl-2,3,6,7-tétrahydro-8H-furo[2,3-g]chromén-8-one [French] [ACD/IUPAC Name]
8H-Furo[2,3-g][1]benzopyran-8-one, 2,3,6,7-tetrahydro-2-(1-hydroxy-1-methylethyl)-6,6-dimethyl-, (2R)- [ACD/Index Name]
truncateol V
(2R)-2-(2-hydroxypropan-2-yl)-6,6-dimethyl-2,3,6,7-tetrahydro-8H-furo[2,3-g]chromen-8-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465528/
Pestalotheol D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 160.4±22.2 °C
Index of Refraction: 1.556
Molar Refractivity: 73.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.06
ACD/KOC (pH 5.5): 1153.47
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.06
ACD/KOC (pH 7.4): 1153.47
Polar Surface Area: 56 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 229.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement