ChemSpider 2D Image | Perrottetinene | C24H28O2

Perrottetinene

  • Molecular FormulaC24H28O2
  • Average mass348.478 Da
  • Monoisotopic mass348.208923 Da
  • ChemSpider ID28284856
  • defined stereocentres - 2 of 2 defined stereocentres


More details:



Featured data source



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

(6aS,10aR)-6,6,9-Trimethyl-3-(2-phenylethyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
(6aS,10aR)-6,6,9-Trimethyl-3-(2-phenylethyl)-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
(6aS,10aR)-6,6,9-Triméthyl-3-(2-phényléthyl)-6a,7,8,10a-tétrahydro-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6a,7,8,10a-tetrahydro-6,6,9-trimethyl-3-(2-phenylethyl)-, (6aS,10aR)- [ACD/Index Name]
Perrottetinene [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 430.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 172.0±23.0 °C
Index of Refraction: 1.575
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 149833.56
ACD/KOC (pH 5.5): 176307.45
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 149109.17
ACD/KOC (pH 7.4): 175455.06
Polar Surface Area: 29 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 320.9±3.0 cm3

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