ChemSpider 2D Image | 3-[2-(1-Naphthyl)ethyl]-3-[2-(tetrahydro-2H-pyran-2-yl)ethyl]pentanedioic acid | C24H30O5

3-[2-(1-Naphthyl)ethyl]-3-[2-(tetrahydro-2H-pyran-2-yl)ethyl]pentanedioic acid

  • Molecular FormulaC24H30O5
  • Average mass398.492 Da
  • Monoisotopic mass398.209320 Da
  • ChemSpider ID26554529

More details:

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

115025-90-6 [RN]
3-(2-Naphthalen-1-yl-ethyl)-3-[2-(tetrahydro-pyran-2-yl)-ethyl]-pentanedioic acid
3-[2-(1-Naphthyl)ethyl]-3-[2-(tetrahydro-2H-pyran-2-yl)ethyl]pentandisäure [German] [ACD/IUPAC Name]
3-[2-(1-Naphthyl)ethyl]-3-[2-(tetrahydro-2H-pyran-2-yl)ethyl]pentanedioic acid [ACD/IUPAC Name]
Acide 3-[2-(1-naphtyl)éthyl]-3-[2-(tétrahydro-2H-pyran-2-yl)éthyl]pentanedioïque [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-[2-(1-naphthalenyl)ethyl]-3-[2-(tetrahydro-2H-pyran-2-yl)ethyl]- [ACD/Index Name]
[113527-39-2] [RN]
113527-39-2 [RN]
3-(2-(Naphthalen-1-yl)ethyl)-3-(2-(tetrahydro-2H-pyran-2-yl)ethyl)pentanedioic acid
3-(2-naphthalen-1-ylethyl)-3-[2-(oxan-2-yl)ethyl]pentanedioic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 622.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 212.9±22.2 °C
Index of Refraction: 1.583
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 7.43
ACD/KOC (pH 5.5): 38.54
ACD/LogD (pH 7.4): 0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 334.7±3.0 cm3

Click to predict properties on the Chemicalize site


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