Found 3 results

Search term: VUQPPZBQPRNJCH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,3aR,5R,7S,7aS)-1-[(1R)-1-Acetoxyethyl]-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl 3-methyl-2-butenoate | C22H32O5

(1S,3aR,5R,7S,7aS)-1-[(1R)-1-Acetoxyethyl]-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl 3-methyl-2-butenoate

  • Molecular FormulaC22H32O5
  • Average mass376.487 Da
  • Monoisotopic mass376.224976 Da
  • ChemSpider ID103884148

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,3aR,5R,7S,7aS)-1-[(1R)-1-Acetoxyethyl]-7-isopropyl-4-methylen-2-oxooctahydro-1H-inden-5-yl-3-methyl-2-butenoat [German] [ACD/IUPAC Name]
(1S,3aR,5R,7S,7aS)-1-[(1R)-1-Acetoxyethyl]-7-isopropyl-4-methylene-2-oxooctahydro-1H-inden-5-yl 3-methyl-2-butenoate [ACD/IUPAC Name]
147742-09-4 [RN]
2-Butenoic acid, 3-methyl-, (1S,3aR,5R,7S,7aS)-1-[(1R)-1-(acetyloxy)ethyl]octahydro-4-methylene-7-(1-methylethyl)-2-oxo-1H-inden-5-yl ester [ACD/Index Name]
3-Méthyl-2-buténoate de (1S,3aR,5R,7S,7aS)-1-[(1R)-1-acétoxyéthyl]-7-isopropyl-4-méthylène-2-oxooctahydro-1H-indén-5-yle [French] [ACD/IUPAC Name]

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): 4.55
ACD/BCF (pH 5.5): 1701.58
ACD/KOC (pH 5.5): 7148.96
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1701.58
ACD/KOC (pH 7.4): 7148.96
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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