ChemSpider 2D Image | (2Z,4E,6Z,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-2,4,6,8-nonatetraenoic acid | C20H28O3

(2Z,4E,6Z,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-2,4,6,8-nonatetraenoic acid

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID29789710

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E,6Z,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-2,4,6,8-nonatetraenoic acid [ACD/IUPAC Name]
(2Z,4E,6Z,8E)-3,7-Dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-2,4,6,8-nonatetraensäure [German] [ACD/IUPAC Name]
2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-, (2Z,4E,6Z,8E)- [ACD/Index Name]
Acide (2Z,4E,6Z,8E)-3,7-diméthyl-9-(2,2,6-triméthyl-7-oxabicyclo[4.1.0]hept-1-yl)-2,4,6,8-nonatétraénoïque [French] [ACD/IUPAC Name]
13-cis-5,6-Epoxy-5,6-dihydroretinoic acid
3,7-DIMETHYL-9-{2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPTAN-1-YL}NONA-2,4,6,8-TETRAENOIC ACID
5,6-EPOXY-13-CIS RETINOIC ACID
81444-57-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 455.3±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 155.1±14.7 °C
Index of Refraction: 1.579
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 161.61
ACD/KOC (pH 5.5): 785.70
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 2.59
ACD/KOC (pH 7.4): 12.60
Polar Surface Area: 50 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 287.2±3.0 cm3

Click to predict properties on the Chemicalize site


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