ChemSpider 2D Image | (1S,2R,3R,5S,8R,10R,12R,13R)-1,2,6-Trimethylspiro[4,9-dioxatetracyclo[8.2.1.0~2,8~.0~3,5~]tridec-6-ene-13,2'-oxiran]-12-yl (2Z)-2-butenoate | C19H24O5

(1S,2R,3R,5S,8R,10R,12R,13R)-1,2,6-Trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxiran]-12-yl (2Z)-2-butenoate

  • Molecular FormulaC19H24O5
  • Average mass332.391 Da
  • Monoisotopic mass332.162384 Da
  • ChemSpider ID57259800

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,3R,5S,8R,10R,12R,13R)-1,2,6-Trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2'-oxiran]-12-yl (2Z)-2-butenoate [ACD/IUPAC Name]
21284-11-7 [RN]
crotocin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 429.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.5±3.0 kJ/mol
Flash Point: 188.1±28.8 °C
Index of Refraction: 1.580
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.91
ACD/KOC (pH 5.5): 205.03
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 11.91
ACD/KOC (pH 7.4): 205.03
Polar Surface Area: 61 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 259.5±5.0 cm3

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