copper;benzene;butane

C10H14Cu — CID 177419309

IUPACcopper;benzene;butane
SMILES[CH2-]CCC.[Cu+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C4H9.Cu/c1-2-4-6-5-3-1;1-3-4-2;/h1-5H;1,3-4H2,2H3;/q2*-1;+2
InChIKeyKTAOIVOXVUYJIQ-UHFFFAOYSA-N
MW197.77 g/mol
LogP3.10
Rot. Bonds1

About copper;benzene;butane

copper;benzene;butane (PubChem CID 177419309) has the molecular formula C10H14Cu and a molecular weight of 197.77 g/mol. Its IUPAC name is copper;benzene;butane.

Molecular Properties

Compound Namecopper;benzene;butane
PubChem CID177419309
Molecular FormulaC10H14Cu
Molecular Weight197.77 g/mol
Exact Mass197.04
IUPAC Namecopper;benzene;butane
SMILES[CH2-]CCC.[Cu+2].[c-]1ccccc1
InChIInChI=1S/C6H5.C4H9.Cu/c1-2-4-6-5-3-1;1-3-4-2;/h1-5H;1,3-4H2,2H3;/q2*-1;+2
InChIKeyKTAOIVOXVUYJIQ-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.77
LogP ≤ 53.10
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 copper;benzene;butane?
The IUPAC name of copper;benzene;butane (CID 177419309) is copper;benzene;butane.
What is the SMILES notation for copper;benzene;butane?
The canonical SMILES for copper;benzene;butane is [CH2-]CCC.[Cu+2].[c-]1ccccc1.
What is the InChIKey of copper;benzene;butane?
The InChIKey is KTAOIVOXVUYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.C4H9.Cu/c1-2-4-6-5-3-1;1-3-4-2;/h1-5H;1,3-4H2,2H3;/q2*-1;+2.
What are the key properties of copper;benzene;butane?
copper;benzene;butane has a molecular weight of 197.77 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for copper;benzene;butane is sourced from PubChem (CID 177419309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).