ChemSpider 2D Image | (3Z,5R)-5-[(Benzyloxy)methyl]-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(9Z)-9-octadecen-1-ylidene]dihydro-2(3H)-furanone | C35H54O5

(3Z,5R)-5-[(Benzyloxy)methyl]-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(9Z)-9-octadecen-1-ylidene]dihydro-2(3H)-furanone

  • Molecular FormulaC35H54O5
  • Average mass554.800 Da
  • Monoisotopic mass554.397095 Da
  • ChemSpider ID8778207

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3Z,5R)-5-[(Benzyloxy)methyl]-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(9Z)-9-octadecen-1-yliden]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3Z,5R)-5-[(Benzyloxy)methyl]-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(9Z)-9-octadecen-1-ylidene]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3Z,5R)-5-[(Benzyloxy)méthyl]-5-[(4S)-2,2-diméthyl-1,3-dioxolan-4-yl]-3-[(9Z)-9-octadécén-1-ylidène]dihydro-2(3H)-furanone [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: 639.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 261.7±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 165.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 11.25
ACD/LogD (pH 5.5): 10.44
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.44
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 54 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 40.5±3.0 dyne/cm
Molar Volume: 537.1±3.0 cm3

Click to predict properties on the Chemicalize site


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