methane;molecular hydrogen

C6H28 — CID 169426346

IUPACmethane;molecular hydrogen
SMILESC.C.C.C.C.C.[H][H].[H][H]
InChIInChI=1S/6CH4.2H2/h6*1H4;2*1H
InChIKeyIYZCQRYYORVSOT-UHFFFAOYSA-N
MW100.29 g/mol
LogP4.31
Rot. Bonds

About methane;molecular hydrogen

methane;molecular hydrogen (PubChem CID 169426346) has the molecular formula C6H28 and a molecular weight of 100.29 g/mol. Its IUPAC name is methane;molecular hydrogen.

Molecular Properties

Compound Namemethane;molecular hydrogen
PubChem CID169426346
Molecular FormulaC6H28
Molecular Weight100.29 g/mol
Exact Mass100.22
IUPAC Namemethane;molecular hydrogen
SMILESC.C.C.C.C.C.[H][H].[H][H]
InChIInChI=1S/6CH4.2H2/h6*1H4;2*1H
InChIKeyIYZCQRYYORVSOT-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.29
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;molecular hydrogen?
The IUPAC name of methane;molecular hydrogen (CID 169426346) is methane;molecular hydrogen.
What is the SMILES notation for methane;molecular hydrogen?
The canonical SMILES for methane;molecular hydrogen is C.C.C.C.C.C.[H][H].[H][H].
What is the InChIKey of methane;molecular hydrogen?
The InChIKey is IYZCQRYYORVSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/6CH4.2H2/h6*1H4;2*1H.
What are the key properties of methane;molecular hydrogen?
methane;molecular hydrogen has a molecular weight of 100.29 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular hydrogen is sourced from PubChem (CID 169426346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).