methane

C46H184 — CID 169425837

IUPACmethane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C
InChIInChI=1S/46CH4/h46*1H4
InChIKeyHUGWJHCYCPSCPG-UHFFFAOYSA-N
MW737.98 g/mol
LogP29.26
Rot. Bonds

About methane

methane (PubChem CID 169425837) has the molecular formula C46H184 and a molecular weight of 737.98 g/mol. Its IUPAC name is methane.

Molecular Properties

Compound Namemethane
PubChem CID169425837
Molecular FormulaC46H184
Molecular Weight737.98 g/mol
Exact Mass737.44
IUPAC Namemethane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C
InChIInChI=1S/46CH4/h46*1H4
InChIKeyHUGWJHCYCPSCPG-UHFFFAOYSA-N
XLogP29.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.98
LogP ≤ 529.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane
CID 159881189
methane
CID 160708418
methane
CID 162219706
methane
CID 157230417
methane;yttrium
CID 158238152
methane;phosphane
CID 160749413
methane;vanadium
CID 157497373
methane;technetium
CID 158904307
azanium methane
CID 162270581
methane;dihydrobromide
CID 173103733
alumane;methane
CID 175576844
methane;praseodymium(3+)
CID 19911146

Frequently Asked Questions

What is the IUPAC name of methane?
The IUPAC name of methane (CID 169425837) is methane.
What is the SMILES notation for methane?
The canonical SMILES for methane is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.
What is the InChIKey of methane?
The InChIKey is HUGWJHCYCPSCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/46CH4/h46*1H4.
What are the key properties of methane?
methane has a molecular weight of 737.98 g/mol, XLogP of 29.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane is sourced from PubChem (CID 169425837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).