Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110294
Identification
Name: a methyl group
Description:Not Available
Structure
Thumb
Synonyms:Not Available
Chemical Formula: CH4
Average Molecular Weight: 16.043
Monoisotopic Molecular Weight: Not Available
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
Kingdom Organic compounds
Super ClassHydrocarbons
Class Saturated hydrocarbons
Sub ClassAlkanes
Direct Parent Alkanes
Alternative Parents Not Available
Substituents
  • Acyclic alkane
  • Alkane
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • one-carbon compound, mononuclear parent hydride, alkane (CHEBI:16183)
  • a simple group (METHYL-GROUP)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass16.0425ChemAxon
logP0.6361ChemAxon
H-bond acceptors0ChemAxon
H-bond donors0ChemAxon
Rotatable bonds0ChemAxon
PSA0ChemAxon
RO5 violations0ChemAxon
RO3 violations0ChemAxon
Refractivity6.9210ChemAxon
Atoms5ChemAxon
Rings0ChemAxon
Heavy atoms1ChemAxon
Hydrogen atoms4ChemAxon
Heteroatoms0ChemAxon
N/O atoms0ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCycMETHYL-GROUP