ChemSpider 2D Image | DIRETINYL ETHER | C40H58O

DIRETINYL ETHER

  • Molecular FormulaC40H58O
  • Average mass554.888 Da
  • Monoisotopic mass554.448792 Da
  • ChemSpider ID8295732
  • Double-bond stereo - Double-bond stereo


More details:






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

442662-30-8 [RN]
DIRETINYL ETHER
O15-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-yl]retinol [ACD/IUPAC Name]
O15-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-yl]retinol [German] [ACD/IUPAC Name]
O15-[(2E,4E,6E,8E)-3,7-Diméthyl-9-(2,6,6-triméthyl-1-cyclohexén-1-yl)-2,4,6,8-nonatétraén-1-yl]rétinol [French] [ACD/IUPAC Name]
Retinol, O15-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-yl]- [ACD/Index Name]
2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3,3-trimethylcyclohexene
2-[(1E,3E,5E,7E)-9-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoxy]-3,7-dimethyl-nona-1,3,5,7-tetraenyl]-1,3,3-trimethyl-cyclohexene

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

3915JD4G86 [DBID]
UNII:3915JD4G86 [DBID]
UNII-3915JD4G86 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 659.0±24.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 341.7±10.4 °C
Index of Refraction: 1.557
Molar Refractivity: 187.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 15.05
ACD/LogD (pH 5.5): 13.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.18
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 9 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 582.9±3.0 cm3

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