ChemSpider 2D Image | 8-{2-[(3-Methylbutanoyl)oxy]-2-propanyl}-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-9-yl (2Z)-2-methyl-2-butenoate | C24H28O7

8-{2-[(3-Methylbutanoyl)oxy]-2-propanyl}-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-9-yl (2Z)-2-methyl-2-butenoate

  • Molecular FormulaC24H28O7
  • Average mass428.475 Da
  • Monoisotopic mass428.183502 Da
  • ChemSpider ID29814600

  • 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 8-{2-[(3-méthylbutanoyl)oxy]-2-propanyl}-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromén-9-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, 8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester, (2Z)- [ACD/Index Name]
8-{2-[(3-Methylbutanoyl)oxy]-2-propanyl}-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-9-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
8-{2-[(3-Methylbutanoyl)oxy]-2-propanyl}-2-oxo-8,9-dihydro-2H-furo[2,3-h]chromen-9-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
143061-67-0 [RN]
3'-(1''-(3-Methylbutanoyl))-angeloyl vaginidiol
8-{2-[(3-methylbutanoyl)oxy]propan-2-yl}-2-oxo-2H,8H,9H-furo[2,3-h]chromen-9-yl (2Z)-2-methylbut-2-enoate
8-{2-[(3-methylbutanoyl)oxy]propan-2-yl}-2-oxo-8H,9H-furo[2,3-h]chromen-9-yl (2Z)-2-methylbut-2-enoate
Compound NP-018042

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 516.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 221.4±30.2 °C
Index of Refraction: 1.560
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3536.23
ACD/KOC (pH 5.5): 12068.11
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3536.23
ACD/KOC (pH 7.4): 12068.11
Polar Surface Area: 88 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 348.8±5.0 cm3

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