ChemSpider 2D Image | Isopropyl (2E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)-2-oxiranyl]-2-butenoate | C19H34O4

Isopropyl (2E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)-2-oxiranyl]-2-butenoate

  • Molecular FormulaC19H34O4
  • Average mass326.471 Da
  • Monoisotopic mass326.245697 Da
  • ChemSpider ID48063214

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2E)-3-[(2S,3S)-3-(6-Méthoxy-2,6-diméthylheptyl)-2-oxiranyl]-2-buténoate d'isopropyle [French] [ACD/IUPAC Name]
2-Butenoic acid, 3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)oxiranyl]-, 1-methylethyl ester, (2E)- [ACD/Index Name]
Isopropyl (2E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)-2-oxiranyl]-2-butenoate [ACD/IUPAC Name]
Isopropyl-(2E)-3-[(2S,3S)-3-(6-methoxy-2,6-dimethylheptyl)-2-oxiranyl]-2-butenoat [German] [ACD/IUPAC Name]
65277-96-5 [RN]
Methoprene epoxide
rel-trans-Methoprene Epoxide

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

Density: 1.0±0.1 g/cm3
Boiling Point: 396.7±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 168.2±21.0 °C
Index of Refraction: 1.467
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 955.84
ACD/KOC (pH 5.5): 4731.07
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 955.84
ACD/KOC (pH 7.4): 4731.07
Polar Surface Area: 48 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 32.6±3.0 dyne/cm
Molar Volume: 334.6±3.0 cm3

Click to predict properties on the Chemicalize site


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