butane

C4H10 — CID 7843

IUPACbutane
SMILESCCCC
InChIInChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
InChIKeyIJDNQMDRQITEOD-UHFFFAOYSA-N
MW58.12 g/mol
LogP1.81
Rot. Bonds1

About butane

butane (PubChem CID 7843) has the molecular formula C4H10 and a molecular weight of 58.12 g/mol. Its IUPAC name is butane.

Molecular Properties

Compound Namebutane
PubChem CID7843
Molecular FormulaC4H10
Molecular Weight58.12 g/mol
Exact Mass58.08
IUPAC Namebutane
SMILESCCCC
InChIInChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
InChIKeyIJDNQMDRQITEOD-UHFFFAOYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.12
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane?
The IUPAC name of butane (CID 7843) is butane.
What is the SMILES notation for butane?
The canonical SMILES for butane is CCCC.
What is the InChIKey of butane?
The InChIKey is IJDNQMDRQITEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3.
What are the key properties of butane?
butane has a molecular weight of 58.12 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane is sourced from PubChem (CID 7843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).