ethylene (PAMDB120279)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120279
Identification
Name: ethylene
Description:Not Available
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • Äthen
  • Äthylen
  • CH2=CH2
  • Ethylene
  • ethylene
  • H2C=CH2
  • R-1150
Chemical Formula: C2H4
Average Molecular Weight: 28.054
Monoisotopic Molecular Weight: 28.0313
InChI Key: VGGSQFUCUMXWEO-UHFFFAOYSA-N
InChI:InChI=1S/C2H4/c1-2/h1-2H2
CAS number: 74-85-1
IUPAC Name:ethene
Traditional IUPAC Name: ethylene
SMILES:C=C
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as acyclic olefins. These are olefins that do not contain a ring in their structure.
Kingdom Organic compounds
Super ClassHydrocarbons
Class Olefins
Sub ClassAcyclic olefins
Direct Parent Acyclic olefins
Alternative Parents
Substituents
  • Acyclic olefin
  • Alkene
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
Physical Properties
State: Not Available
Charge:0
Melting point: -169 °C
Experimental Properties:
PropertyValueReference
Melting Point-169 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.131 mg/mL at 25 °CNot Available
LogP1.13Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.25 mg/mLALOGPS
logP0.9ALOGPS
logP1.11ChemAxon
logS-0.94ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.98 m3·mol-1ChemAxon
Polarizability3.6 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
2-oxo-4-methylthiobutanoate + hydroxyl radical → ethylene + methanethiol + Carbon dioxide
Pathways:
    Spectra
    Spectra:
    Spectrum TypeDescriptionSplash Key
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-6a5dcb252ffd01ad3f35View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-6a5dcb252ffd01ad3f35View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-6a5dcb252ffd01ad3f35View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-fb5a9d1ef2758534fef6View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-fb5a9d1ef2758534fef6View in MoNA
    Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-fb5a9d1ef2758534fef6View in MoNA
    MSMass Spectrum (Electron Ionization)splash10-004i-9000000000-eacac6164c6e518f24f1View in MoNA
    References
    References:
    • EAFUS: Everything Added to Food in the United States.
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    HMDBHMDB29594
    CHEMSPIDER6085
    WikipediaEthylene
    PUBCHEM6325
    CHEBI18153
    LIGAND-CPDC06547