butane;methane

C12H36 — CID 158881067

IUPACbutane;methane
SMILESC.C.C.C.CCCC.CCCC
InChIInChI=1S/2C4H10.4CH4/c2*1-3-4-2;;;;/h2*3-4H2,1-2H3;4*1H4
InChIKeyJDALHVOOQUXSKT-UHFFFAOYSA-N
MW180.42 g/mol
LogP6.16
Rot. Bonds2

About butane;methane

butane;methane (PubChem CID 158881067) has the molecular formula C12H36 and a molecular weight of 180.42 g/mol. Its IUPAC name is butane;methane.

Molecular Properties

Compound Namebutane;methane
PubChem CID158881067
Molecular FormulaC12H36
Molecular Weight180.42 g/mol
Exact Mass180.28
IUPAC Namebutane;methane
SMILESC.C.C.C.CCCC.CCCC
InChIInChI=1S/2C4H10.4CH4/c2*1-3-4-2;;;;/h2*3-4H2,1-2H3;4*1H4
InChIKeyJDALHVOOQUXSKT-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500180.42
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

butane;methane
CID 161323740
butane;methane
CID 169432073
butane;methane
CID 158764755
butane;ethane;methane
CID 162200509
butane;deuterium monohydride;methane
CID 157488506
butane;methane;molecular iodine
CID 158060894
butane;octahydrofluoride
CID 173254735
butane;dihydroiodide
CID 173299742
azane;butane
CID 18518846
butane;neodymium
CID 173047512
butane;dihydrochloride
CID 175321374
butane;manganese
CID 173124338

Frequently Asked Questions

What is the IUPAC name of butane;methane?
The IUPAC name of butane;methane (CID 158881067) is butane;methane.
What is the SMILES notation for butane;methane?
The canonical SMILES for butane;methane is C.C.C.C.CCCC.CCCC.
What is the InChIKey of butane;methane?
The InChIKey is JDALHVOOQUXSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10.4CH4/c2*1-3-4-2;;;;/h2*3-4H2,1-2H3;4*1H4.
What are the key properties of butane;methane?
butane;methane has a molecular weight of 180.42 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;methane is sourced from PubChem (CID 158881067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).