butane;copper(1+)

C4H9Cu — CID 12885279

IUPACbutane;copper(1+)
SMILESC[CH-]CC.[Cu+]
InChIInChI=1S/C4H9.Cu/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1
InChIKeyAAAFRLJCFYKQPO-UHFFFAOYSA-N
MW120.66 g/mol
LogP1.62
Rot. Bonds1

About butane;copper(1+)

butane;copper(1+) (PubChem CID 12885279) has the molecular formula C4H9Cu and a molecular weight of 120.66 g/mol. Its IUPAC name is butane;copper(1+).

Molecular Properties

Compound Namebutane;copper(1+)
PubChem CID12885279
Molecular FormulaC4H9Cu
Molecular Weight120.66 g/mol
Exact Mass120.00
IUPAC Namebutane;copper(1+)
SMILESC[CH-]CC.[Cu+]
InChIInChI=1S/C4H9.Cu/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1
InChIKeyAAAFRLJCFYKQPO-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.66
LogP ≤ 51.62
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;copper(1+)?
The IUPAC name of butane;copper(1+) (CID 12885279) is butane;copper(1+).
What is the SMILES notation for butane;copper(1+)?
The canonical SMILES for butane;copper(1+) is C[CH-]CC.[Cu+].
What is the InChIKey of butane;copper(1+)?
The InChIKey is AAAFRLJCFYKQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.Cu/c1-3-4-2;/h3H,4H2,1-2H3;/q-1;+1.
What are the key properties of butane;copper(1+)?
butane;copper(1+) has a molecular weight of 120.66 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;copper(1+) is sourced from PubChem (CID 12885279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).