ChemSpider 2D Image | (2E,6E,9S,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraene-1,9-diol | C20H34O2

(2E,6E,9S,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraene-1,9-diol

  • Molecular FormulaC20H34O2
  • Average mass306.483 Da
  • Monoisotopic mass306.255890 Da
  • ChemSpider ID23327516

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,6E,9S,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1,9-diol [German] [ACD/IUPAC Name]
(2E,6E,9S,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraene-1,9-diol [ACD/IUPAC Name]
(2E,6E,9S,10E)-3,7,11,15-Tétraméthyl-2,6,10,14-hexadécatétraène-1,9-diol [French] [ACD/IUPAC Name]
2,6,10,14-Hexadecatetraene-1,9-diol, 3,7,11,15-tetramethyl-, (2E,6E,9S,10E)- [ACD/Index Name]
(2E,6E,9S,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,9-diol
9S-crinitol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL452251/

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

Density: 0.9±0.1 g/cm3
Boiling Point: 435.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 188.1±20.0 °C
Index of Refraction: 1.506
Molar Refractivity: 97.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5658.50
ACD/KOC (pH 5.5): 16895.68
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5658.50
ACD/KOC (pH 7.4): 16895.68
Polar Surface Area: 40 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 327.7±3.0 cm3

Click to predict properties on the Chemicalize site


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