ChemSpider 2D Image | (2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenoic acid | C20H38O2

(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenoic acid

  • Molecular FormulaC20H38O2
  • Average mass310.514 Da
  • Monoisotopic mass310.287170 Da
  • ChemSpider ID26585154

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecenoic acid [ACD/IUPAC Name]
(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecensäure [German] [ACD/IUPAC Name]
2-Hexadecenoic acid, 3,7,11,15-tetramethyl-, (2E,7R,11R)- [ACD/Index Name]
Acide (2E,7R,11R)-3,7,11,15-tétraméthyl-2-hexadécénoïque [French] [ACD/IUPAC Name]
2E-Phytenoic acid
3,7,11,15-Tetramethyl-2-hexadecenoic acid [ACD/IUPAC Name]
3,7R,11R,15-tetramethyl-2E-hexadecenoic acid
Phytenic acid
Phytenoic Acid
Phytic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 0.9±0.1 g/cm3
Boiling Point: 417.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±6.0 kJ/mol
Flash Point: 311.7±11.0 °C
Index of Refraction: 1.464
Molar Refractivity: 96.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 8.77
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 55730.18
ACD/KOC (pH 5.5): 63151.97
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 1063.94
ACD/KOC (pH 7.4): 1205.63
Polar Surface Area: 37 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 347.8±3.0 cm3

Click to predict properties on the Chemicalize site


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