ChemSpider 2D Image | (9E)-7-Hydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-7,11-dimethyl-2-oxooxacyclododec-9-ene-4,8-diyl diacetate | C32H50O9

(9E)-7-Hydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-7,11-dimethyl-2-oxooxacyclododec-9-ene-4,8-diyl diacetate

  • Molecular FormulaC32H50O9
  • Average mass578.734 Da
  • Monoisotopic mass578.345459 Da
  • ChemSpider ID9928200

  • Double-bond stereo - Double-bond stereo

More details:

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

(9E)-7-Hydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-7,11-dimethyl-2-oxooxacyclododec-9-en-4,8-diyl-diacetat [German] [ACD/IUPAC Name]
(9E)-7-Hydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-7,11-dimethyl-2-oxooxacyclododec-9-ene-4,8-diyl diacetate [ACD/IUPAC Name]
Diacétate de (9E)-7-hydroxy-12-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-méthyl-2,4-heptadién-2-yl}-7,11-diméthyl-2-oxooxacyclododéc-9-ène-4,8-diyle [French] [ACD/IUPAC Name]
Oxacyclododec-9-en-2-one, 4,8-bis(acetyloxy)-7-hydroxy-12-[(1E,3E)-6-[3-(2-hydroxy-1-methylbutyl)oxiranyl]-1,5-dimethyl-1,3-hexadien-1-yl]-7,11-dimethyl-, (9E)- [ACD/Index 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: 679.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.1±6.0 kJ/mol
Flash Point: 206.6±25.0 °C
Index of Refraction: 1.525
Molar Refractivity: 155.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1165.04
ACD/KOC (pH 5.5): 5451.13
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1165.04
ACD/KOC (pH 7.4): 5451.13
Polar Surface Area: 132 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 508.4±5.0 cm3

Click to predict properties on the Chemicalize site


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