methane

C22H88 — CID 139273747

IUPACmethane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C
InChIInChI=1S/22CH4/h22*1H4
InChIKeyIJHSSCILSGKAPR-UHFFFAOYSA-N
MW352.95 g/mol
LogP13.99
Rot. Bonds

About methane

methane (PubChem CID 139273747) has the molecular formula C22H88 and a molecular weight of 352.95 g/mol. Its IUPAC name is methane.

Molecular Properties

Compound Namemethane
PubChem CID139273747
Molecular FormulaC22H88
Molecular Weight352.95 g/mol
Exact Mass352.69
IUPAC Namemethane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C
InChIInChI=1S/22CH4/h22*1H4
InChIKeyIJHSSCILSGKAPR-UHFFFAOYSA-N
XLogP13.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.95
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane?
The IUPAC name of methane (CID 139273747) 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.
What is the InChIKey of methane?
The InChIKey is IJHSSCILSGKAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/22CH4/h22*1H4.
What are the key properties of methane?
methane has a molecular weight of 352.95 g/mol, XLogP of 13.99, 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 139273747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).