ChemSpider 2D Image | 3-(1-Heptyn-1-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C23H30O2

3-(1-Heptyn-1-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC23H30O2
  • Average mass338.483 Da
  • Monoisotopic mass338.224579 Da
  • ChemSpider ID23232012

More details:

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

3-(1-Heptin-1-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
3-(1-Heptyn-1-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
3-(1-Heptyn-1-yl)-6,6,9-triméthyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
3-(hept-1-yn-1-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
6H-Dibenzo[b,d]pyran-1-ol, 3-(1-heptyn-1-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl- [ACD/Index Name]
3-Hept-1-ynyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CHEMBL355598
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL355598/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 419.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 163.4±23.0 °C
Index of Refraction: 1.573
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 7.52
ACD/BCF (pH 5.5): 306486.31
ACD/KOC (pH 5.5): 294251.72
ACD/LogD (pH 7.4): 7.51
ACD/BCF (pH 7.4): 301192.19
ACD/KOC (pH 7.4): 289168.91
Polar Surface Area: 29 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 310.7±5.0 cm3

Click to predict properties on the Chemicalize site


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