ChemSpider 2D Image | (1S)-2,2-Dibutyl-5-(2-quinolinylmethoxy)-1,2,3,4-tetrahydro-1-naphthalenyl (2S)-methoxy(phenyl)acetate | C37H43NO4

(1S)-2,2-Dibutyl-5-(2-quinolinylmethoxy)-1,2,3,4-tetrahydro-1-naphthalenyl (2S)-methoxy(phenyl)acetate

  • Molecular FormulaC37H43NO4
  • Average mass565.742 Da
  • Monoisotopic mass565.319214 Da
  • ChemSpider ID8849847

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S)-2,2-Dibutyl-5-(2-chinolinylmethoxy)-1,2,3,4-tetrahydro-1-naphthalinyl-(2S)-methoxy(phenyl)acetat [German] [ACD/IUPAC Name]
(1S)-2,2-Dibutyl-5-(2-quinolinylmethoxy)-1,2,3,4-tetrahydro-1-naphthalenyl (2S)-methoxy(phenyl)acetate [ACD/IUPAC Name]
(2S)-Méthoxy(phényl)acétate de (1S)-2,2-dibutyl-5-(2-quinoléinylméthoxy)-1,2,3,4-tétrahydro-1-naphtalényle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methoxy-, (1S)-2,2-dibutyl-1,2,3,4-tetrahydro-5-(2-quinolinylmethoxy)-1-naphthalenyl ester, (αS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 367.0±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 168.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 10.67
ACD/LogD (pH 5.5): 9.32
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2767536.50
ACD/LogD (pH 7.4): 9.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2825114.00
Polar Surface Area: 58 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 491.3±5.0 cm3

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