disodium;butane

C4H8Na2 — CID 25150770

IUPACdisodium;butane
SMILES[CH2-]CC[CH2-].[Na+].[Na+]
InChIInChI=1S/C4H8.2Na/c1-3-4-2;;/h1-4H2;;/q-2;2*+1
InChIKeyCMZVSRZGTGTMIM-UHFFFAOYSA-N
MW102.09 g/mol
LogP-4.56
Rot. Bonds1

About disodium;butane

disodium;butane (PubChem CID 25150770) has the molecular formula C4H8Na2 and a molecular weight of 102.09 g/mol. Its IUPAC name is disodium;butane.

Molecular Properties

Compound Namedisodium;butane
PubChem CID25150770
Molecular FormulaC4H8Na2
Molecular Weight102.09 g/mol
Exact Mass102.04
IUPAC Namedisodium;butane
SMILES[CH2-]CC[CH2-].[Na+].[Na+]
InChIInChI=1S/C4H8.2Na/c1-3-4-2;;/h1-4H2;;/q-2;2*+1
InChIKeyCMZVSRZGTGTMIM-UHFFFAOYSA-N
XLogP-4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.09
LogP ≤ 5-4.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;butane?
The IUPAC name of disodium;butane (CID 25150770) is disodium;butane.
What is the SMILES notation for disodium;butane?
The canonical SMILES for disodium;butane is [CH2-]CC[CH2-].[Na+].[Na+].
What is the InChIKey of disodium;butane?
The InChIKey is CMZVSRZGTGTMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.2Na/c1-3-4-2;;/h1-4H2;;/q-2;2*+1.
What are the key properties of disodium;butane?
disodium;butane has a molecular weight of 102.09 g/mol, XLogP of -4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;butane is sourced from PubChem (CID 25150770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).