ChemSpider 2D Image | (3R,4E)-4-Methyl-4-hepten-1-yn-3-yl (1R,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | C18H26O2

(3R,4E)-4-Methyl-4-hepten-1-yn-3-yl (1R,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

  • Molecular FormulaC18H26O2
  • Average mass274.398 Da
  • Monoisotopic mass274.193268 Da
  • ChemSpider ID32790940

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,3S)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de (3R,4E)-4-méthyl-4-heptén-1-yn-3-yle [French] [ACD/IUPAC Name]
(3R,4E)-4-Methyl-4-hepten-1-in-3-yl-(1R,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
(3R,4E)-4-Methyl-4-hepten-1-yn-3-yl (1R,3S)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,2E)-1-ethynyl-2-methyl-2-penten-1-yl ester, (1R,3S)- [ACD/Index 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: 346.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.0±3.0 kJ/mol
Flash Point: 144.0±25.3 °C
Index of Refraction: 1.527
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 5.92
ACD/BCF (pH 5.5): 18609.59
ACD/KOC (pH 5.5): 39615.41
ACD/LogD (pH 7.4): 5.92
ACD/BCF (pH 7.4): 18609.59
ACD/KOC (pH 7.4): 39615.41
Polar Surface Area: 26 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 38.6±3.0 dyne/cm
Molar Volume: 274.6±3.0 cm3

Click to predict properties on the Chemicalize site


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