ChemSpider 2D Image | 2-[(2Z,4E,6E,8Z,10E)-14-Hydroxy-6,11-dimethyl-2,4,6,8,10-tetradecapentaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol | C27H40O3

2-[(2Z,4E,6E,8Z,10E)-14-Hydroxy-6,11-dimethyl-2,4,6,8,10-tetradecapentaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol

  • Molecular FormulaC27H40O3
  • Average mass412.605 Da
  • Monoisotopic mass412.297760 Da
  • ChemSpider ID35014275

  • Double-bond stereo - Double-bond stereo

More details:

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

2-[(2Z,4E,6E,8Z,10E)-14-Hydroxy-6,11-dimethyl-2,4,6,8,10-tetradecapentaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol [German] [ACD/IUPAC Name]
2-[(2Z,4E,6E,8Z,10E)-14-Hydroxy-6,11-dimethyl-2,4,6,8,10-tetradecapentaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol [ACD/IUPAC Name]
2-[(2Z,4E,6E,8Z,10E)-14-Hydroxy-6,11-diméthyl-2,4,6,8,10-tétradécapentaén-2-yl]-4,4,7a-triméthyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol [French] [ACD/IUPAC Name]
6-Benzofuranol, 2,4,5,6,7,7a-hexahydro-2-[(1Z,3E,5E,7Z,9E)-13-hydroxy-1,5,10-trimethyl-1,3,5,7,9-tridecapentaen-1-yl]-4,4,7a-trimethyl- [ACD/Index Name]
2-[(2Z,4E,6E,8Z,10E)-14-hydroxy-6,11-dimethyltetradeca-2,4,6,8,10-pentaen-2-yl]-4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-6-ol
2-[(2Z,4E,6E,8Z,10E)-14-hydroxy-6,11-dimethyltetradeca-2,4,6,8,10-pentaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
5,8-Epoxy-5,8-dihydro-3-hydroxy-12'-apo-b,y-carotenol, 9CI
Valenciachrome

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 98.8±6.0 kJ/mol
Flash Point: 300.9±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 126.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 5.87
ACD/BCF (pH 5.5): 17019.94
ACD/KOC (pH 5.5): 37162.64
ACD/LogD (pH 7.4): 5.87
ACD/BCF (pH 7.4): 17019.94
ACD/KOC (pH 7.4): 37162.64
Polar Surface Area: 50 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 395.5±5.0 cm3

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