ChemSpider 2D Image | 4-(Methoxycarbonyl)-3-(methoxymethoxy)-2,5-dimethylphenyl 3-formyl-2,4-bis(methoxymethoxy)-6-methylbenzoate | C25H30O11

4-(Methoxycarbonyl)-3-(methoxymethoxy)-2,5-dimethylphenyl 3-formyl-2,4-bis(methoxymethoxy)-6-methylbenzoate

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID345180

More details:

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

3-Formyl-2,4-bis(méthoxyméthoxy)-6-méthylbenzoate de 4-(méthoxycarbonyl)-3-(méthoxyméthoxy)-2,5-diméthylphényle [French] [ACD/IUPAC Name]
4-(Methoxycarbonyl)-3-(methoxymethoxy)-2,5-dimethylphenyl 3-formyl-2,4-bis(methoxymethoxy)-6-methylbenzoate [ACD/IUPAC Name]
4-(Methoxycarbonyl)-3-(methoxymethoxy)-2,5-dimethylphenyl-3-formyl-2,4-bis(methoxymethoxy)-6-methylbenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 3-formyl-2,4-bis(methoxymethoxy)-6-methyl-, 4-(methoxycarbonyl)-3-(methoxymethoxy)-2,5-dimethylphenyl ester [ACD/Index Name]
Acetyl Atranorin

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

NSC685592 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 279.0±31.5 °C
Index of Refraction: 1.544
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 3.25
ACD/BCF (pH 5.5): 173.59
ACD/KOC (pH 5.5): 1395.28
ACD/LogD (pH 7.4): 3.25
ACD/BCF (pH 7.4): 173.59
ACD/KOC (pH 7.4): 1395.28
Polar Surface Area: 125 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 411.8±3.0 cm3

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