ChemSpider 2D Image | (6aR)-3-(3-Hydroxypentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | C21H30O3

(6aR)-3-(3-Hydroxypentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID23130105

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(6aR)-3-(3-Hydroxypentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aR)-3-(3-Hydroxypentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aR)-3-(3-Hydroxypentyl)-6,6,9-triméthyl-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-3-propanol, α-ethyl-6a,7,8,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-, (6aR)- [ACD/Index Name]
3-(3-Hydroxy-pentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 434.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.4±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 97.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7421.45
ACD/KOC (pH 5.5): 20515.37
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7387.89
ACD/KOC (pH 7.4): 20422.60
Polar Surface Area: 50 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 307.6±3.0 cm3

Click to predict properties on the Chemicalize site


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