ChemSpider 2D Image | CD2665 | C31H34O5

CD2665

  • Molecular FormulaC31H34O5
  • Average mass486.599 Da
  • Monoisotopic mass486.240631 Da
  • ChemSpider ID35519238

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

170355-78-9 [RN]
4-{7-[(3s,5s,7s)-Adamantan-1-yl]-6-[(2-methoxyethoxy)methoxy]-2-naphthyl}benzoesäure [German] [ACD/IUPAC Name]
4-{7-[(3s,5s,7s)-Adamantan-1-yl]-6-[(2-methoxyethoxy)methoxy]-2-naphthyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{7-[(3s,5s,7s)-adamantan-1-yl]-6-[(2-méthoxyéthoxy)méthoxy]-2-naphtyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[6-[(2-methoxyethoxy)methoxy]-7-tricyclo[3.3.1.13,7]dec-1-yl-2-naphthalenyl]- [ACD/Index Name]
CD2665
4-(6-(Adamantan-1-yl)-7-((2-methoxyethoxy)methoxy)naphthalen-2-yl)benzoic acid
4-[6-[(2-methoxyethoxy)methoxy]-7-tricyclo[3.3.1.13,7]dec-1-yl-2-naphthalenyl]-benzoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 668.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 219.3±25.0 °C
Index of Refraction: 1.624
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.47
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 4861.81
ACD/KOC (pH 5.5): 6132.50
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 145.76
ACD/KOC (pH 7.4): 183.85
Polar Surface Area: 65 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 396.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement