ChemSpider 2D Image | (2E)-2-[(4E,8E,12E,16E)-4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaen-1-ylidene]-1,1,1,3-propanetetrol | C30H50O4

(2E)-2-[(4E,8E,12E,16E)-4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaen-1-ylidene]-1,1,1,3-propanetetrol

  • Molecular FormulaC30H50O4
  • Average mass474.716 Da
  • Monoisotopic mass474.370911 Da
  • ChemSpider ID30647237
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-2-[(4E,8E,12E,16E)-4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaen-1-yliden]-1,1,1,3-propantetrol [German] [ACD/IUPAC Name]
(2E)-2-[(4E,8E,12E,16E)-4,8,13,17,21-Pentamethyl-4,8,12,16,20-docosapentaen-1-ylidene]-1,1,1,3-propanetetrol [ACD/IUPAC Name]
(2E)-2-[(4E,8E,12E,16E)-4,8,13,17,21-Pentaméthyl-4,8,12,16,20-docosapentaén-1-ylidène]-1,1,1,3-propanetétrol [French] [ACD/IUPAC Name]
1,1,1,3-Propanetetrol, 2-[(4E,8E,12E,16E)-4,8,13,17,21-pentamethyl-4,8,12,16,20-docosapentaen-1-ylidene]-, (2E)- [ACD/Index Name]
1043629-23-7 [RN]
MFCD20274846
Tetrahydroxysqualene

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 620.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.1 mmHg at 25°C
Enthalpy of Vaporization: 105.5±6.0 kJ/mol
Flash Point: 250.3±24.7 °C
Index of Refraction: 1.530
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 9.67
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 195737.11
ACD/KOC (pH 5.5): 213478.58
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 195588.23
ACD/KOC (pH 7.4): 213316.20
Polar Surface Area: 81 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 39.4±3.0 dyne/cm
Molar Volume: 474.3±3.0 cm3

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