ChemSpider 2D Image | 1-(1-Acetoxyethyl)-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl (2Z)-2-methyl-2-butenoate | C22H32O5

1-(1-Acetoxyethyl)-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID35015058

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Méthyl-2-buténoate de 1-(1-acétoxyéthyl)-7-isopropyl-4-méthylène-2-oxooctahydro-1H-indén-5-yle [French] [ACD/IUPAC Name]
1-(1-Acetoxyethyl)-7-isopropyl-4-methylen-2-oxooctahydro-1H-inden-5-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
1-(1-Acetoxyethyl)-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 1-[1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (2Z)- [ACD/Index Name]
1-[1-(acetyloxy)ethyl]-7-isopropyl-4-methylidene-2-oxo-hexahydro-1H-inden-5-yl (2Z)-2-methylbut-2-enoate
9α-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 458.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.9±3.0 kJ/mol
Flash Point: 195.9±26.0 °C
Index of Refraction: 1.502
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1935.40
ACD/KOC (pH 5.5): 7839.12
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1935.40
ACD/KOC (pH 7.4): 7839.12
Polar Surface Area: 70 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 347.9±5.0 cm3

Click to predict properties on the Chemicalize site


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