butane;lithium(1-)

C4H11Li-2 — CID 154172744

IUPACbutane;lithium(1-)
SMILES[CH2-]CCC.[LiH2-]
InChIInChI=1S/C4H9.Li.2H/c1-3-4-2;;;/h1,3-4H2,2H3;;;/q2*-1;;
InChIKeyVJWWMKYWEYXEMK-UHFFFAOYSA-N
MW66.07 g/mol
LogP0.70
Rot. Bonds1

About butane;lithium(1-)

butane;lithium(1-) (PubChem CID 154172744) has the molecular formula C4H11Li-2 and a molecular weight of 66.07 g/mol. Its IUPAC name is butane;lithium(1-).

Molecular Properties

Compound Namebutane;lithium(1-)
PubChem CID154172744
Molecular FormulaC4H11Li-2
Molecular Weight66.07 g/mol
Exact Mass66.10
IUPAC Namebutane;lithium(1-)
SMILES[CH2-]CCC.[LiH2-]
InChIInChI=1S/C4H9.Li.2H/c1-3-4-2;;;/h1,3-4H2,2H3;;;/q2*-1;;
InChIKeyVJWWMKYWEYXEMK-UHFFFAOYSA-N
XLogP0.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.07
LogP ≤ 50.70
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 butane;lithium(1-)?
The IUPAC name of butane;lithium(1-) (CID 154172744) is butane;lithium(1-).
What is the SMILES notation for butane;lithium(1-)?
The canonical SMILES for butane;lithium(1-) is [CH2-]CCC.[LiH2-].
What is the InChIKey of butane;lithium(1-)?
The InChIKey is VJWWMKYWEYXEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.Li.2H/c1-3-4-2;;;/h1,3-4H2,2H3;;;/q2*-1;;.
What are the key properties of butane;lithium(1-)?
butane;lithium(1-) has a molecular weight of 66.07 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;lithium(1-) is sourced from PubChem (CID 154172744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).