ChemSpider 2D Image | (1Z)-1-Ethylidene-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl (2Z)-2-methyl-2-butenoate | C20H28O3

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

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID35013752

  • Double-bond stereo - Double-bond stereo

More details:

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

(1Z)-1-Ethyliden-7-isopropyl-4-methylen-2-oxooctahydro-1H-inden-5-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(1Z)-1-Ethylidene-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(2Z)-2-Méthyl-2-buténoate de (1Z)-1-éthylidène-7-isopropyl-4-méthylène-2-oxooctahydro-1H-indén-5-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (1Z)-1-ethylideneoctahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester, (2Z)- [ACD/Index Name]
(1Z)-1-ethylidene-7-isopropyl-4-methylidene-2-oxo-hexahydroinden-5-yl (2Z)-2-methylbut-2-enoate
(4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 423.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 182.8±28.8 °C
Index of Refraction: 1.512
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3819.16
ACD/KOC (pH 5.5): 12751.64
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3819.16
ACD/KOC (pH 7.4): 12751.64
Polar Surface Area: 43 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 36.0±5.0 dyne/cm
Molar Volume: 304.5±5.0 cm3

Click to predict properties on the Chemicalize site


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