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Search term: 81360804 (Found by CSID)
ChemSpider 2D Image | fiscpropionate C | C26H40O6

fiscpropionate C

  • Molecular FormulaC26H40O6
  • Average mass448.592 Da
  • Monoisotopic mass448.282501 Da
  • ChemSpider ID81360804

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2E,4E,6Z)-6-[(2E,4R,6S,8R,10S)-10-(Acetoxymethyl)-2,4,6,8-tetramethyl-2-dodecen-1-yliden]-2,4-heptadiendisäure [German] [ACD/IUPAC Name]
(2E,4E,6Z)-6-[(2E,4R,6S,8R,10S)-10-(Acetoxymethyl)-2,4,6,8-tetramethyl-2-dodecen-1-ylidene]-2,4-heptadienedioic acid [ACD/IUPAC Name]
2,4-Heptadienedioic acid, 6-[(2E,4R,6S,8R,10S)-10-[(acetyloxy)methyl]-2,4,6,8-tetramethyl-2-dodecen-1-ylidene]-, (2E,4E,6Z)- [ACD/Index Name]
Acide (2E,4E,6Z)-6-[(2E,4R,6S,8R,10S)-10-(acétoxyméthyl)-2,4,6,8-tétraméthyl-2-dodécén-1-ylidène]-2,4-heptadiènedioïque [French] [ACD/IUPAC Name]
fiscpropionate C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4467104/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 606.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 98.5±6.0 kJ/mol
Flash Point: 193.7±20.8 °C
Index of Refraction: 1.509
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 6.51
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 31.20
ACD/KOC (pH 5.5): 80.39
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 426.0±3.0 cm3

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