methane;molecular hydrogen

C5H22 — CID 157066605

IUPACmethane;molecular hydrogen
SMILESC.C.C.C.C.[H][H]
InChIInChI=1S/5CH4.H2/h5*1H4;1H
InChIKeyABYGHFXDZANPSP-UHFFFAOYSA-N
MW82.23 g/mol
LogP3.43
Rot. Bonds

About methane;molecular hydrogen

methane;molecular hydrogen (PubChem CID 157066605) has the molecular formula C5H22 and a molecular weight of 82.23 g/mol. Its IUPAC name is methane;molecular hydrogen.

Molecular Properties

Compound Namemethane;molecular hydrogen
PubChem CID157066605
Molecular FormulaC5H22
Molecular Weight82.23 g/mol
Exact Mass82.17
IUPAC Namemethane;molecular hydrogen
SMILESC.C.C.C.C.[H][H]
InChIInChI=1S/5CH4.H2/h5*1H4;1H
InChIKeyABYGHFXDZANPSP-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.23
LogP ≤ 53.43
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 157066605) 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.[H][H].
What is the InChIKey of methane;molecular hydrogen?
The InChIKey is ABYGHFXDZANPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/5CH4.H2/h5*1H4;1H.
What are the key properties of methane;molecular hydrogen?
methane;molecular hydrogen has a molecular weight of 82.23 g/mol, XLogP of 3.43, 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 157066605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).