butane;copper;pentane

C13H29Cu-3 — CID 163678874

IUPACbutane;copper;pentane
SMILESC[CH-]CCC.[CH2-]CCC.[CH2-]CCC.[Cu]
InChIInChI=1S/C5H11.2C4H9.Cu/c1-3-5-4-2;2*1-3-4-2;/h3H,4-5H2,1-2H3;2*1,3-4H2,2H3;/q3*-1;
InChIKeyAWRMMLURCWFASH-UHFFFAOYSA-N
MW248.92 g/mol
LogP5.25
Rot. Bonds4

About butane;copper;pentane

butane;copper;pentane (PubChem CID 163678874) has the molecular formula C13H29Cu-3 and a molecular weight of 248.92 g/mol. Its IUPAC name is butane;copper;pentane.

Molecular Properties

Compound Namebutane;copper;pentane
PubChem CID163678874
Molecular FormulaC13H29Cu-3
Molecular Weight248.92 g/mol
Exact Mass248.16
IUPAC Namebutane;copper;pentane
SMILESC[CH-]CCC.[CH2-]CCC.[CH2-]CCC.[Cu]
InChIInChI=1S/C5H11.2C4H9.Cu/c1-3-5-4-2;2*1-3-4-2;/h3H,4-5H2,1-2H3;2*1,3-4H2,2H3;/q3*-1;
InChIKeyAWRMMLURCWFASH-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.92
LogP ≤ 55.25
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;pentane?
The IUPAC name of butane;copper;pentane (CID 163678874) is butane;copper;pentane.
What is the SMILES notation for butane;copper;pentane?
The canonical SMILES for butane;copper;pentane is C[CH-]CCC.[CH2-]CCC.[CH2-]CCC.[Cu].
What is the InChIKey of butane;copper;pentane?
The InChIKey is AWRMMLURCWFASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.2C4H9.Cu/c1-3-5-4-2;2*1-3-4-2;/h3H,4-5H2,1-2H3;2*1,3-4H2,2H3;/q3*-1;.
What are the key properties of butane;copper;pentane?
butane;copper;pentane has a molecular weight of 248.92 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;copper;pentane is sourced from PubChem (CID 163678874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).