ChemSpider 2D Image | (1Z,3E,6E)-3-(Acetoxymethylene)-7,11-dimethyl-1,6,10-dodecatrien-8-yne-1,4-diyl diacetate | C21H26O6

(1Z,3E,6E)-3-(Acetoxymethylene)-7,11-dimethyl-1,6,10-dodecatrien-8-yne-1,4-diyl diacetate

  • Molecular FormulaC21H26O6
  • Average mass374.427 Da
  • Monoisotopic mass374.172943 Da
  • ChemSpider ID123247117

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z,3E,6E)-3-(Acetoxymethylen)-7,11-dimethyl-1,6,10-dodecatrien-8-in-1,4-diyl-diacetat [German] [ACD/IUPAC Name]
(1Z,3E,6E)-3-(Acetoxymethylene)-7,11-dimethyl-1,6,10-dodecatrien-8-yne-1,4-diyl diacetate [ACD/IUPAC Name]
1,6,10-Dodecatrien-8-yne-1,4-diol, 3-[(acetyloxy)methylene]-7,11-dimethyl-, diacetate, (1Z,3E,6E)- [ACD/Index Name]
Diacétate de (1Z,3E,6E)-3-(acétoxyméthylène)-7,11-diméthyl-1,6,10-dodécatrién-8-yne-1,4-diyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 493.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 212.7±28.8 °C
Index of Refraction: 1.509
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 926.05
ACD/KOC (pH 5.5): 4625.07
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 926.05
ACD/KOC (pH 7.4): 4625.07
Polar Surface Area: 79 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 343.2±3.0 cm3

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