ChemSpider 2D Image | (1S)-1-[(2S,4aS,6S,8aR)-8-Propyl-2,6-bis(4-propylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethanediol (non-preferred name) | C29H40O6

(1S)-1-[(2S,4aS,6S,8aR)-8-Propyl-2,6-bis(4-propylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethanediol (non-preferred name)

  • Molecular FormulaC29H40O6
  • Average mass484.624 Da
  • Monoisotopic mass484.282501 Da
  • ChemSpider ID34989777

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S)-1-[(2S,4aS,6S,8aR)-8-Propyl-2,6-bis(4-propylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethandiol (non-preferred name) [German] [ACD/IUPAC Name]
(1S)-1-[(2S,4aS,6S,8aR)-8-Propyl-2,6-bis(4-propylphenyl)tetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-ethanediol (non-preferred name) [ACD/IUPAC Name]
(1S)-1-[(2S,4aS,6S,8aR)-8-Propyl-2,6-bis(4-propylphényl)tétrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]-1,2-éthanediol (non-preferred name) [French] [ACD/IUPAC Name]
1,2,3-TRIDEOXY-4,6:5,7-BIS-O-((4-PROPYLPHENYL)METHYLENE)-NONITOL
882073-43-0 [RN]
UNII-D5B9U0YBDI

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

Density: 1.1±0.1 g/cm3
Boiling Point: 642.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 342.4±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 135.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.87
ACD/LogD (pH 5.5): 6.44
ACD/BCF (pH 5.5): 46388.82
ACD/KOC (pH 5.5): 76173.02
ACD/LogD (pH 7.4): 6.44
ACD/BCF (pH 7.4): 46388.77
ACD/KOC (pH 7.4): 76172.93
Polar Surface Area: 77 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 434.3±3.0 cm3

Click to predict properties on the Chemicalize site


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