ChemSpider 2D Image | [(3aR,4S,4aR,7S,8aR,9aS)-3,3,4,7,8a-Pentamethyl-2-oxo-7-vinyldecahydro-4H-furo[3,2-g]chromen-4-yl]acetic acid | C20H30O5

[(3aR,4S,4aR,7S,8aR,9aS)-3,3,4,7,8a-Pentamethyl-2-oxo-7-vinyldecahydro-4H-furo[3,2-g]chromen-4-yl]acetic acid

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID35517025

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

[(3aR,4S,4aR,7S,8aR,9aS)-3,3,4,7,8a-Pentamethyl-2-oxo-7-vinyldecahydro-4H-furo[3,2-g]chromen-4-yl]acetic acid [ACD/IUPAC Name]
[(3aR,4S,4aR,7S,8aR,9aS)-3,3,4,7,8a-Pentamethyl-2-oxo-7-vinyldecahydro-4H-furo[3,2-g]chromen-4-yl]essigsäure [German] [ACD/IUPAC Name]
4H-Furo[3,2-g][1]benzopyran-4-acetic acid, 7-ethenyldecahydro-3,3,4,7,8a-pentamethyl-2-oxo-, (3aR,4S,4aR,7S,8aR,9aS)- [ACD/Index Name]
Acide [(3aR,4S,4aR,7S,8aR,9aS)-3,3,4,7,8a-pentaméthyl-2-oxo-7-vinyldécahydro-4H-furo[3,2-g]chromén-4-yl]acétique [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: 486.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.4±6.0 kJ/mol
Flash Point: 166.3±16.7 °C
Index of Refraction: 1.516
Molar Refractivity: 95.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 16.69
ACD/KOC (pH 5.5): 131.99
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.08
Polar Surface Area: 73 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 314.3±3.0 cm3

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