ChemSpider 2D Image | (3R)-3-(6-Methoxy-2-naphthyl)-2,2-dimethylpentanoic acid | C18H22O3

(3R)-3-(6-Methoxy-2-naphthyl)-2,2-dimethylpentanoic acid

  • Molecular FormulaC18H22O3
  • Average mass286.366 Da
  • Monoisotopic mass286.156891 Da
  • ChemSpider ID34995295

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-3-(6-Methoxy-2-naphthyl)-2,2-dimethylpentanoic acid [ACD/IUPAC Name]
(3R)-3-(6-Methoxy-2-naphthyl)-2,2-dimethylpentansäure [German] [ACD/IUPAC Name]
2-Naphthalenepropanoic acid, β-ethyl-6-methoxy-α,α-dimethyl-, (βR)- [ACD/Index Name]
Acide (3R)-3-(6-méthoxy-2-naphtyl)-2,2-diméthylpentanoïque [French] [ACD/IUPAC Name]
208-232-6 [EINECS]
517-18-0 [RN]
b-Ethyl-6-methoxy-a,a-dimethyl-2-naphthalenepropionic Acid
Methallenestril [INN] [Wiki]
UNII-XL025389JS
XL025389JS

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 154.7±15.3 °C
Index of Refraction: 1.572
Molar Refractivity: 85.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 157.00
ACD/KOC (pH 5.5): 812.96
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.58
ACD/KOC (pH 7.4): 13.37
Polar Surface Area: 47 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 258.3±3.0 cm3

Click to predict properties on the Chemicalize site


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