(113C)butane

C4H10 — CID 11535546

IUPAC(113C)butane
SMILESCCC[13CH3]
InChIInChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1+1
InChIKeyIJDNQMDRQITEOD-OUBTZVSYSA-N
MW59.12 g/mol
LogP1.81
Rot. Bonds1

About (113C)butane

(113C)butane (PubChem CID 11535546) has the molecular formula C4H10 and a molecular weight of 59.12 g/mol. Its IUPAC name is (113C)butane.

Molecular Properties

Compound Name(113C)butane
PubChem CID11535546
Molecular FormulaC4H10
Molecular Weight59.12 g/mol
Exact Mass59.08
IUPAC Name(113C)butane
SMILESCCC[13CH3]
InChIInChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1+1
InChIKeyIJDNQMDRQITEOD-OUBTZVSYSA-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 ≤ 50059.12
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (113C)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (113C)butane?
The IUPAC name of (113C)butane (CID 11535546) is (113C)butane.
What is the SMILES notation for (113C)butane?
The canonical SMILES for (113C)butane is CCC[13CH3].
What is the InChIKey of (113C)butane?
The InChIKey is IJDNQMDRQITEOD-OUBTZVSYSA-N. The full InChI is InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1+1.
What are the key properties of (113C)butane?
(113C)butane has a molecular weight of 59.12 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 (113C)butane is sourced from PubChem (CID 11535546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).