ChemSpider 2D Image | (9S)-3-Hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol | C22H32O2

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

  • Molecular FormulaC22H32O2
  • Average mass328.488 Da
  • Monoisotopic mass328.240234 Da
  • ChemSpider ID34984412

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9S)-3-Hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(9S)-3-Hexyl-6,6,9-trimethyl-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(9S)-3-Hexyl-6,6,9-triméthyl-7,8,9,10-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 3-hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl-, (9S)- [ACD/Index Name]
117-51-1 [RN]
synhexyl
UNII-450N174F9W

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

Density: 1.1±0.1 g/cm3
Boiling Point: 453.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 189.3±23.0 °C
Index of Refraction: 1.554
Molar Refractivity: 99.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 7.93
ACD/BCF (pH 5.5): 632320.38
ACD/KOC (pH 5.5): 494173.69
ACD/LogD (pH 7.4): 7.93
ACD/BCF (pH 7.4): 631565.50
ACD/KOC (pH 7.4): 493583.69
Polar Surface Area: 29 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 310.4±5.0 cm3

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