ChemSpider 2D Image | {(2R,4Z)-2-(Hydroxymethyl)-4-[(10Z)-10-nonadecen-1-ylidene]-5-oxotetrahydro-2-furanyl}methyl acetate | C27H46O5

{(2R,4Z)-2-(Hydroxymethyl)-4-[(10Z)-10-nonadecen-1-ylidene]-5-oxotetrahydro-2-furanyl}methyl acetate

  • Molecular FormulaC27H46O5
  • Average mass450.651 Da
  • Monoisotopic mass450.334534 Da
  • ChemSpider ID23215497

  • 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

{(2R,4Z)-2-(Hydroxymethyl)-4-[(10Z)-10-nonadecen-1-yliden]-5-oxotetrahydro-2-furanyl}methyl-acetat [German] [ACD/IUPAC Name]
{(2R,4Z)-2-(Hydroxymethyl)-4-[(10Z)-10-nonadecen-1-ylidene]-5-oxotetrahydro-2-furanyl}methyl acetate [ACD/IUPAC Name]
{(2R,4Z)-2-(hydroxymethyl)-4-[(10Z)-nonadec-10-en-1-ylidene]-5-oxotetrahydrofuran-2-yl}methyl acetate
2(3H)-Furanone, 5-[(acetyloxy)methyl]dihydro-5-(hydroxymethyl)-3-[(10Z)-10-nonadecen-1-ylidene]-, (3Z,5R)- [ACD/Index Name]
Acétate de {(2R,4Z)-2-(hydroxyméthyl)-4-[(10Z)-10-nonadécén-1-ylidène]-5-oxotétrahydro-2-furanyl}méthyle [French] [ACD/IUPAC Name]
Acetic acid (R)-2-hydroxymethyl-4-[(Z)-nonadec-10-en-(Z)-ylidene]-5-oxo-tetrahydro-furan-2-ylmethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL342430/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 534.2±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.2±6.0 kJ/mol
Flash Point: 162.8±18.1 °C
Index of Refraction: 1.508
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 1
ACD/LogP: 8.34
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 694309.69
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 694309.69
Polar Surface Area: 73 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 40.8±3.0 dyne/cm
Molar Volume: 442.3±3.0 cm3

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