butane;dihydrochloride

C4H12Cl2 — CID 19855579

IUPACbutane;dihydrochloride
SMILESCCCC.Cl.Cl
InChIInChI=1S/C4H10.2ClH/c1-3-4-2;;/h3-4H2,1-2H3;2*1H
InChIKeyRERZISQGOCYBPU-UHFFFAOYSA-N
MW131.05 g/mol
LogP2.65
Rot. Bonds1

About butane;dihydrochloride

butane;dihydrochloride (PubChem CID 19855579) has the molecular formula C4H12Cl2 and a molecular weight of 131.05 g/mol. Its IUPAC name is butane;dihydrochloride.

Molecular Properties

Compound Namebutane;dihydrochloride
PubChem CID19855579
Molecular FormulaC4H12Cl2
Molecular Weight131.05 g/mol
Exact Mass130.03
IUPAC Namebutane;dihydrochloride
SMILESCCCC.Cl.Cl
InChIInChI=1S/C4H10.2ClH/c1-3-4-2;;/h3-4H2,1-2H3;2*1H
InChIKeyRERZISQGOCYBPU-UHFFFAOYSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.05
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

butane;dihydrochloride
CID 175321374
butane;silane;dihydrochloride
CID 173171274
butane;sulfane;hydrochloride
CID 173081400
butane;neodymium
CID 173047512
butane;methane
CID 161323740
butane;hydrazine
CID 161056989
butane;dihydroiodide
CID 173299742
butane;methane
CID 169432073
butane;octahydrofluoride
CID 173254735
azane;butane
CID 18518846
butane;sulfane
CID 162203569
butane;lanthanum
CID 174455562

Frequently Asked Questions

What is the IUPAC name of butane;dihydrochloride?
The IUPAC name of butane;dihydrochloride (CID 19855579) is butane;dihydrochloride.
What is the SMILES notation for butane;dihydrochloride?
The canonical SMILES for butane;dihydrochloride is CCCC.Cl.Cl.
What is the InChIKey of butane;dihydrochloride?
The InChIKey is RERZISQGOCYBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.2ClH/c1-3-4-2;;/h3-4H2,1-2H3;2*1H.
What are the key properties of butane;dihydrochloride?
butane;dihydrochloride has a molecular weight of 131.05 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;dihydrochloride is sourced from PubChem (CID 19855579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).