ChemSpider 2D Image | L-Monomenthyl glutarate | C15H26O4

L-Monomenthyl glutarate

  • Molecular FormulaC15H26O4
  • Average mass270.365 Da
  • Monoisotopic mass270.183105 Da
  • ChemSpider ID23350365
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(-)-monomenthyl glutarate
220621-22-7 [RN]
5-{[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}-5-oxopentanoic acid [ACD/IUPAC Name]
5-{[(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 5-{[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyl]oxy}-5-oxopentanoïque [French] [ACD/IUPAC Name]
L-Monomenthyl glutarate
Pentanedioic acid, mono[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester [ACD/Index Name]
5-(((1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl)oxy)-5-oxopentanoic acid
FEMA 4006
L-menthylglutaric acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

134PF6763Y [DBID]
UNII:134PF6763Y [DBID]
UNII-134PF6763Y [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 393.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 137.4±16.7 °C
Index of Refraction: 1.478
Molar Refractivity: 72.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 100.80
ACD/KOC (pH 5.5): 510.95
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 8.03
Polar Surface Area: 64 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 257.4±5.0 cm3

Click to predict properties on the Chemicalize site






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