disodium;butane;hydride

C4H12Na2 — CID 173013109

IUPACdisodium;butane;hydride
SMILESCCCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H10.2Na.2H/c1-3-4-2;;;;/h3-4H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyJLXYOSFVLGFBTB-UHFFFAOYSA-N
MW106.12 g/mol
LogP-3.96
Rot. Bonds1

About disodium;butane;hydride

disodium;butane;hydride (PubChem CID 173013109) has the molecular formula C4H12Na2 and a molecular weight of 106.12 g/mol. Its IUPAC name is disodium;butane;hydride.

Molecular Properties

Compound Namedisodium;butane;hydride
PubChem CID173013109
Molecular FormulaC4H12Na2
Molecular Weight106.12 g/mol
Exact Mass106.07
IUPAC Namedisodium;butane;hydride
SMILESCCCC.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C4H10.2Na.2H/c1-3-4-2;;;;/h3-4H2,1-2H3;;;;/q;2*+1;2*-1
InChIKeyJLXYOSFVLGFBTB-UHFFFAOYSA-N
XLogP-3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-3.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of disodium;butane;hydride?
The IUPAC name of disodium;butane;hydride (CID 173013109) is disodium;butane;hydride.
What is the SMILES notation for disodium;butane;hydride?
The canonical SMILES for disodium;butane;hydride is CCCC.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;butane;hydride?
The InChIKey is JLXYOSFVLGFBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.2Na.2H/c1-3-4-2;;;;/h3-4H2,1-2H3;;;;/q;2*+1;2*-1.
What are the key properties of disodium;butane;hydride?
disodium;butane;hydride has a molecular weight of 106.12 g/mol, XLogP of -3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;butane;hydride is sourced from PubChem (CID 173013109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).