ChemSpider 2D Image | (2S)-3-[(3,4-Dimethoxybenzyl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,13,17-nonadecatetraen-1-yl]oxy}-1-propanol | C37H58O5

(2S)-3-[(3,4-Dimethoxybenzyl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,13,17-nonadecatetraen-1-yl]oxy}-1-propanol

  • Molecular FormulaC37H58O5
  • Average mass582.853 Da
  • Monoisotopic mass582.428406 Da
  • ChemSpider ID10172504

  • 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

(2S)-3-[(3,4-Dimethoxybenzyl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylen-2,6,13,17-nonadecatetraen-1-yl]oxy}-1-propanol [German] [ACD/IUPAC Name]
(2S)-3-[(3,4-Dimethoxybenzyl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,13,17-nonadecatetraen-1-yl]oxy}-1-propanol [ACD/IUPAC Name]
(2S)-3-[(3,4-Diméthoxybenzyl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentaméthyl-11-méthylène-2,6,13,17-nonadécatétraén-1-yl]oxy}-1-propanol [French] [ACD/IUPAC Name]
1-Propanol, 3-[(3,4-dimethoxyphenyl)methoxy]-2-[[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylene-2,6,13,17-nonadecatetraen-1-yl]oxy]-, (2S)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 655.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 349.9±31.5 °C
Index of Refraction: 1.512
Molar Refractivity: 178.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 11.29
ACD/LogD (pH 5.5): 9.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3574961.00
ACD/LogD (pH 7.4): 9.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3574961.00
Polar Surface Area: 57 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 595.3±3.0 cm3

Click to predict properties on the Chemicalize site


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