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Search term: LQWRAFCAHSCBDJ-RNPFBCAXSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,4E,6E)-7-[4,5-Bis(1-hydroxyvinyl)-3-pyrrolidinyl]-3-methyl-1,4,6-octatrien-2-ol | C17H25NO3

(3R,4E,6E)-7-[4,5-Bis(1-hydroxyvinyl)-3-pyrrolidinyl]-3-methyl-1,4,6-octatrien-2-ol

  • Molecular FormulaC17H25NO3
  • Average mass291.385 Da
  • Monoisotopic mass291.183441 Da
  • ChemSpider ID23202920

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(3R,4E,6E)-7-[4,5-bis(1-hydroxyethenyl)pyrrolidin-3-yl]-3-methylocta-1,4,6-trien-2-ol
(3R,4E,6E)-7-[4,5-Bis(1-hydroxyvinyl)-3-pyrrolidinyl]-3-methyl-1,4,6-octatrien-2-ol [German] [ACD/IUPAC Name]
(3R,4E,6E)-7-[4,5-Bis(1-hydroxyvinyl)-3-pyrrolidinyl]-3-methyl-1,4,6-octatrien-2-ol [ACD/IUPAC Name]
(3R,4E,6E)-7-[4,5-Bis(1-hydroxyvinyl)-3-pyrrolidinyl]-3-méthyl-1,4,6-octatrién-2-ol [French] [ACD/IUPAC Name]
2,3-Pyrrolidinedimethanol, 4-[(1E,3E,5R)-6-hydroxy-1,5-dimethyl-1,3,6-heptatrien-1-yl]-α,α'-bis(methylene)- [ACD/Index Name]
(4E,6E)-(R)-7-[4,5-Bis-(1-hydroxy-vinyl)-pyrrolidin-3-yl]-3-methyl-octa-1,4,6-trien-2-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 496.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.0±6.0 kJ/mol
Flash Point: 148.6±19.3 °C
Index of Refraction: 1.549
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.14
ACD/KOC (pH 7.4): 14.83
Polar Surface Area: 73 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 267.3±3.0 cm3

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