ChemSpider 2D Image | {5-[(5E)-5-Heptene-1,3-diyn-1-yl]-2-thienyl}methanol | C12H10OS

{5-[(5E)-5-Heptene-1,3-diyn-1-yl]-2-thienyl}methanol

  • Molecular FormulaC12H10OS
  • Average mass202.272 Da
  • Monoisotopic mass202.045242 Da
  • ChemSpider ID24535798

  • Double-bond stereo - Double-bond stereo

More details:

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

{5-[(5E)-5-Hepten-1,3-diin-1-yl]-2-thienyl}methanol [German] [ACD/IUPAC Name]
{5-[(5E)-5-Heptene-1,3-diyn-1-yl]-2-thienyl}methanol [ACD/IUPAC Name]
{5-[(5E)-5-Heptène-1,3-diyn-1-yl]-2-thiényl}méthanol [French] [ACD/IUPAC Name]
{5-[(5E)-Hept-5-ene-1,3-diyn-1-yl]-2-thienyl}methanol
2-Thiophenemethanol, 5-[(5E)-5-heptene-1,3-diyn-1-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL500347/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 373.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 179.5±27.9 °C
Index of Refraction: 1.622
Molar Refractivity: 59.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.58
ACD/KOC (pH 5.5): 1100.35
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 124.58
ACD/KOC (pH 7.4): 1100.34
Polar Surface Area: 48 Å2
Polarizability: 23.5±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 168.6±5.0 cm3

Click to predict properties on the Chemicalize site


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