ChemSpider 2D Image | (3S)-2,6-Dimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,17E,21E)-3,7,11-trimethyl-1,3,5,7,9,11,13,17,21-tricosanonaen-1-yl]-2,6-heptanediol | C35H54O2

(3S)-2,6-Dimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,17E,21E)-3,7,11-trimethyl-1,3,5,7,9,11,13,17,21-tricosanonaen-1-yl]-2,6-heptanediol

  • Molecular FormulaC35H54O2
  • Average mass506.802 Da
  • Monoisotopic mass506.412384 Da
  • ChemSpider ID61711664

  • 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

(3S)-2,6-Dimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,17E,21E)-3,7,11-trimethyl-1,3,5,7,9,11,13,17,21-tricosanonaen-1-yl]-2,6-heptandiol [German] [ACD/IUPAC Name]
(3S)-2,6-Dimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,17E,21E)-3,7,11-trimethyl-1,3,5,7,9,11,13,17,21-tricosanonaen-1-yl]-2,6-heptanediol [ACD/IUPAC Name]
(3S)-2,6-Diméthyl-3-[(1E,3E,5E,7E,9E,11E,13E,17E,21E)-3,7,11-triméthyl-1,3,5,7,9,11,13,17,21-tricosanonaén-1-yl]-2,6-heptanediol [French] [ACD/IUPAC Name]
2,6-Heptanediol, 2,6-dimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,17E,21E)-3,7,11-trimethyl-1,3,5,7,9,11,13,17,21-tricosanonaen-1-yl]-, (3S)- [ACD/Index Name]
22B
bacterioruberin

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

Density: 0.9±0.1 g/cm3
Boiling Point: 647.5±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±6.0 kJ/mol
Flash Point: 252.4±22.8 °C
Index of Refraction: 1.527
Molar Refractivity: 167.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 9.84
ACD/LogD (pH 5.5): 8.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1777609.88
ACD/LogD (pH 7.4): 8.96
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1777609.88
Polar Surface Area: 40 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 543.7±3.0 cm3

Click to predict properties on the Chemicalize site


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