ChemSpider 2D Image | 4-(Acetoxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 3-methylbutanoate | C17H26O5

4-(Acetoxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 3-methylbutanoate

  • Molecular FormulaC17H26O5
  • Average mass310.385 Da
  • Monoisotopic mass310.178009 Da
  • ChemSpider ID35015063

More details:

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

3-Méthylbutanoate de 4-(acétoxyméthyl)-7-méthyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yle [French] [ACD/IUPAC Name]
4-(Acetoxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 3-methylbutanoate [ACD/IUPAC Name]
4-(Acetoxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl-3-methylbutanoat [German] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, 4-[(acetyloxy)methyl]-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-1-yl ester [ACD/Index Name]
4-[(acetyloxy)methyl]-7-methyl-1H,4aH,5H,6H,7H,7aH-cyclopenta[c]pyran-1-yl 3-methylbutanoate
Valdiate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 390.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 168.6±27.9 °C
Index of Refraction: 1.496
Molar Refractivity: 81.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 168.65
ACD/KOC (pH 5.5): 1366.72
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 168.65
ACD/KOC (pH 7.4): 1366.72
Polar Surface Area: 62 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 279.7±5.0 cm3

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