ChemSpider 2D Image | (4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-hexenoic acid | C18H18O4

(4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-hexenoic acid

  • Molecular FormulaC18H18O4
  • Average mass298.333 Da
  • Monoisotopic mass298.120509 Da
  • ChemSpider ID13628420

  • Double-bond stereo - Double-bond stereo

More details:

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

(4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-hexenoic acid [ACD/IUPAC Name]
(4Z)-4-Methyl-6-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-4-hexensäure [German] [ACD/IUPAC Name]
4-Hexenoic acid, 6-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-4-methyl-, (4Z)- [ACD/Index Name]
51732-61-7 [RN]
Acide (4Z)-4-méthyl-6-(3-méthyl-1,4-dioxo-1,4-dihydro-2-naphtalényl)-4-hexénoïque [French] [ACD/IUPAC Name]
2-Methyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone
6-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-4-methyl- 4-Hexenoate
6-(1,4-dihydro-3-methyl-1,4-dioxo-2-naphthalenyl)-4-methyl- 4-Hexenoic acid
(4Z)-4-methyl-6-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)hex-4-enoic acid
(4Z)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoic acid

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

C05796 [DBID]

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

Density: 1.2±0.0 g/cm3
Boiling Point: 497.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 80.6±0.0 kJ/mol
Flash Point: 268.7±0.0 °C
Index of Refraction: 1.575
Molar Refractivity: 81.6±0.0 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 88.63
ACD/KOC (pH 5.5): 493.54
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 1.41
ACD/KOC (pH 7.4): 7.83
Polar Surface Area: 71 Å2
Polarizability: 32.3±0.0 10-24cm3
Surface Tension: 48.1±0.0 dyne/cm
Molar Volume: 246.6±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement