ChemSpider 2D Image | (5Z)-7-{3-[(Hexylsulfanyl)methyl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid | C20H34O3S

(5Z)-7-{3-[(Hexylsulfanyl)methyl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid

  • Molecular FormulaC20H34O3S
  • Average mass354.547 Da
  • Monoisotopic mass354.222870 Da
  • ChemSpider ID23242580

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-7-{3-[(Hexylsulfanyl)methyl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptenoic acid [ACD/IUPAC Name]
(5Z)-7-{3-[(Hexylsulfanyl)methyl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-heptensäure [German] [ACD/IUPAC Name]
(5Z)-7-{3-[(hexylsulfanyl)methyl]-7-oxabicyclo[2.2.1]hept-2-yl}hept-5-enoic acid
5-Heptenoic acid, 7-[3-[(hexylthio)methyl]-7-oxabicyclo[2.2.1]hept-2-yl]-, (5Z)- [ACD/Index Name]
Acide (5Z)-7-{3-[(hexylsulfanyl)méthyl]-7-oxabicyclo[2.2.1]hept-2-yl}-5-hepténoïque [French] [ACD/IUPAC Name]
7-(3-Hexylsulfanylmethyl-7-oxa-bicyclo[2.2.1]hept-2-yl)-hept-5-enoic acid

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

Density: 1.0±0.1 g/cm3
Boiling Point: 501.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 84.4±6.0 kJ/mol
Flash Point: 257.2±21.8 °C
Index of Refraction: 1.514
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 811.72
ACD/KOC (pH 5.5): 2471.86
ACD/LogD (pH 7.4): 2.59
ACD/BCF (pH 7.4): 12.97
ACD/KOC (pH 7.4): 39.50
Polar Surface Area: 72 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 338.7±3.0 cm3

Click to predict properties on the Chemicalize site


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