ChemSpider 2D Image | (2E,5E)-2-{2-[(2R)-3-(Hydroxymethyl)-5-oxo-2,5-dihydro-2-furanyl]ethylidene}-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octen-1-yl acetate | C27H40O5

(2E,5E)-2-{2-[(2R)-3-(Hydroxymethyl)-5-oxo-2,5-dihydro-2-furanyl]ethylidene}-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octen-1-yl acetate

  • Molecular FormulaC27H40O5
  • Average mass444.603 Da
  • Monoisotopic mass444.287567 Da
  • ChemSpider ID35516610

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E,5E)-2-{2-[(2R)-3-(Hydroxymethyl)-5-oxo-2,5-dihydro-2-furanyl]ethyliden}-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octen-1-yl-acetat [German] [ACD/IUPAC Name]
(2E,5E)-2-{2-[(2R)-3-(Hydroxymethyl)-5-oxo-2,5-dihydro-2-furanyl]ethylidene}-6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-5-octen-1-yl acetate [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(2E,6E)-3-[(acetyloxy)methyl]-7-methyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,6-nonadien-1-yl]-4-(hydroxymethyl)-, (5R)- [ACD/Index Name]
Acétate de (2E,5E)-2-{2-[(2R)-3-(hydroxyméthyl)-5-oxo-2,5-dihydro-2-furanyl]éthylidène}-6-méthyl-8-(2,6,6-triméthyl-1-cyclohexén-1-yl)-5-octén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 591.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 189.5±23.6 °C
Index of Refraction: 1.509
Molar Refractivity: 127.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.18
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 73270.19
ACD/KOC (pH 5.5): 105656.27
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 73270.19
ACD/KOC (pH 7.4): 105656.27
Polar Surface Area: 73 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 36.5±3.0 dyne/cm
Molar Volume: 425.7±3.0 cm3

Click to predict properties on the Chemicalize site


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