Found 1 result

Search term: 58196845 (Found by CSID)
ChemSpider 2D Image | (2E,4Z,6E,8E,10E)-12-Methoxy-3,5,9-trimethyl-12-oxo-2,4,6,8,10-dodecapentaenoic acid | C16H20O4

(2E,4Z,6E,8E,10E)-12-Methoxy-3,5,9-trimethyl-12-oxo-2,4,6,8,10-dodecapentaenoic acid

  • Molecular FormulaC16H20O4
  • Average mass276.328 Da
  • Monoisotopic mass276.136169 Da
  • ChemSpider ID58196845

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4Z,6E,8E,10E)-12-Methoxy-3,5,9-trimethyl-12-oxo-2,4,6,8,10-dodecapentaenoic acid [ACD/IUPAC Name]
(2E,4Z,6E,8E,10E)-12-Methoxy-3,5,9-trimethyl-12-oxo-2,4,6,8,10-dodecapentaensäure [German] [ACD/IUPAC Name]
2,4,6,8,10-Dodecapentaenedioic acid, 3,5,9-trimethyl-, 12-methyl ester, (2E,4Z,6E,8E,10E)- [ACD/Index Name]
Acide (2E,4Z,6E,8E,10E)-12-méthoxy-3,5,9-triméthyl-12-oxo-2,4,6,8,10-dodécapentaénoïque [French] [ACD/IUPAC Name]
Nectriacid C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 457.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 164.8±14.7 °C
Index of Refraction: 1.527
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.59
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 20.65
ACD/KOC (pH 5.5): 172.87
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 64 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 258.2±3.0 cm3

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