butane;tetrahydrochloride

C4H14Cl4 — CID 139707894

IUPACbutane;tetrahydrochloride
SMILESCCCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C4H10.4ClH/c1-3-4-2;;;;/h3-4H2,1-2H3;4*1H
InChIKeyZJFHMLZEODNPHV-UHFFFAOYSA-N
MW203.97 g/mol
LogP3.49
Rot. Bonds1

About butane;tetrahydrochloride

butane;tetrahydrochloride (PubChem CID 139707894) has the molecular formula C4H14Cl4 and a molecular weight of 203.97 g/mol. Its IUPAC name is butane;tetrahydrochloride.

Molecular Properties

Compound Namebutane;tetrahydrochloride
PubChem CID139707894
Molecular FormulaC4H14Cl4
Molecular Weight203.97 g/mol
Exact Mass201.98
IUPAC Namebutane;tetrahydrochloride
SMILESCCCC.Cl.Cl.Cl.Cl
InChIInChI=1S/C4H10.4ClH/c1-3-4-2;;;;/h3-4H2,1-2H3;4*1H
InChIKeyZJFHMLZEODNPHV-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.97
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butane;tetrahydrochloride?
The IUPAC name of butane;tetrahydrochloride (CID 139707894) is butane;tetrahydrochloride.
What is the SMILES notation for butane;tetrahydrochloride?
The canonical SMILES for butane;tetrahydrochloride is CCCC.Cl.Cl.Cl.Cl.
What is the InChIKey of butane;tetrahydrochloride?
The InChIKey is ZJFHMLZEODNPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.4ClH/c1-3-4-2;;;;/h3-4H2,1-2H3;4*1H.
What are the key properties of butane;tetrahydrochloride?
butane;tetrahydrochloride has a molecular weight of 203.97 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;tetrahydrochloride is sourced from PubChem (CID 139707894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).